SCHEMBL4789087

SCHEMBL4789087

C1=C(c2ccccc2)CNCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
HTR2A P28223 6/20 0.54
SIGMAR1 Q99720 1/20 0.50
HTR2C P28335 3/20 0.49
HTR2B P41595 2/20 0.49
HTR6 P50406 1/20 0.42
PRCP P42785 1/20 0.42
TSHR P16473 1/20 0.41
SLC6A1 P30531 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM3 P20309 1/20 0.40
PNMT P11086 1/20 0.40
CD44 P16070 1/20 0.40
MAOB P27338 1/20 0.40
BLM P54132 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9252509 0.98 ADRA2A (0.58) ADRA2AADRA2BHTR2ASIGMAR1HTR2C
SCHEMBL29140051 0.96 ADRA2A (0.61) ADRA2AADRA2BHTR2ASIGMAR1HTR2C
SCHEMBL29028946 0.88 ADRA2A (0.47) ADRA2AADRA2BHTR2ASIGMAR1HTR2C
SCHEMBL29140058 0.84 ADRA2A (0.53) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL9063316 0.84 ADRA2A (0.53) ADRA2AADRA2BHTR2ASIGMAR1HTR2C
SCHEMBL1956137 0.83 SIGMAR1 (0.67) ADRA2AADRA2BHTR2ASIGMAR1HTR2C
Hydrochloric Acid SCHEMBL6797184 0.81 HTR2C (0.68) ADRA2AADRA2BHTR2ASIGMAR1HTR2C
SCHEMBL8960083 0.79 ADRA2A (0.61) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL8960144 0.79 ADRA2A (0.61) ADRA2AADRA2BHTR2AHTR2CHTR2B
SCHEMBL4790041 0.79 ADRA2A (0.56) ADRA2AADRA2BHTR2AHTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518752-B A kind of synthetic method of 5- phenyl -1,2,3,6- 5,6-tetrahydropyridine derivative 山东理工大学 2019-07-26 CN claimed
CN-106518752-A Synthesis method of 5-phenyl-1, 2, 3, 6-tetrahydropyridine derivative 山东理工大学 2017-03-22 CN claimed
JP-6321899-A None JP disclosed
CN-117185989-A Synthesis method for preparing 5-aryl-1, 2,3, 6-tetrahydropyridine derivative by photo-induced palladium catalysis 齐鲁医药学院 2023-12-08 CN disclosed
CN-117185989-A Synthesis method for preparing 5-aryl-1, 2,3, 6-tetrahydropyridine derivative by photo-induced palladium catalysis 齐鲁医药学院 2023-12-08 CN disclosed
WO-2020112941-A2 SOLID STATE FORMS OF LUMATEPERONE SALTS AND PROCESSES FOR PREPARATION OF LUMATEPERONE AND SALTS THEREOF TEVA CZECH INDUSTRIES S.R.O (CZ) 2020-06-04 WO disclosed
CN-106518752-B A kind of synthetic method of 5- phenyl -1,2,3,6- 5,6-tetrahydropyridine derivative 山东理工大学 2019-07-26 CN disclosed
CN-106518752-B A kind of synthetic method of 5- phenyl -1,2,3,6- 5,6-tetrahydropyridine derivative 山东理工大学 2019-07-26 CN disclosed
CN-106518752-B A kind of synthetic method of 5- phenyl -1,2,3,6- 5,6-tetrahydropyridine derivative 山东理工大学 2019-07-26 CN disclosed
CN-106518752-A Synthesis method of 5-phenyl-1, 2, 3, 6-tetrahydropyridine derivative 山东理工大学 2017-03-22 CN disclosed
CN-106518752-A Synthesis method of 5-phenyl-1, 2, 3, 6-tetrahydropyridine derivative 山东理工大学 2017-03-22 CN disclosed
EP-0618194-A1 3-Phenyl-1,2,5,6-tetrahydropyridine and its use as a sedative LABORATOIRE L. LAFON (FR) 1994-10-05 EP disclosed
EP-0618194-A1 3-Phenyl-1,2,5,6-tetrahydropyridine and its use as a sedative LABORATOIRE L. LAFON (FR) 1994-10-05 EP disclosed
EP-0163238-B1 SUBSTITUTED AND BRIDGED PYRIDINES USEFUL AS PHARMACEUTICAL AGENTS MERCK & CO. INC. (US) 1991-07-24 EP disclosed
EP-0192521-B1 3-PHENYL-TETRAHYDROPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE LABORATOIRE L. LAFON Société anonyme dite: (FR) 1988-12-14 EP disclosed
US-4663328-A 3-Phenyl-tetrahydropyridine derivatives, and their use as sedative agents LABORATOIRE L. LAFON (FR) 1987-05-05 US disclosed
EP-0192521-A1 3-Phenyl-tetrahydropyridine derivatives, process for their preparation and their therapeutical use LABORATOIRE L. LAFON Société anonyme dite: (FR) 1986-08-27 EP disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 US disclosed