SCHEMBL7404347

SCHEMBL7404347

C1=C(Cc2ccccc2)CCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
HTR2C P28335 10/20 0.48
HTR2B P41595 2/20 0.41
CALM1 P0DP23 1/20 0.41
HTR6 P50406 4/20 0.40
HTR2A P28223 3/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR3A P46098 1/20 0.40
ADRA1A P35348 2/20 0.38
TSHR P16473 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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 SCHEMBL1574641 0.98 HTR2C (0.52) SIGMAR1HTR2CHTR2BCALM1HTR6
SCHEMBL14704890 0.89 SIGMAR1 (0.43) SIGMAR1HTR2CHTR2BCALM1HTR6
SCHEMBL7806865 0.83 SIGMAR1 (0.48) SIGMAR1HTR2CHTR2BHTR6HTR2A
Hydrochloric Acid SCHEMBL14995271 0.81 HTR2C (0.50) SIGMAR1HTR2CHTR2BHTR6LMNA
SCHEMBL11634417 0.81 SIGMAR1 (0.53) SIGMAR1HTR2CHTR2BHTR6HTR2A
SCHEMBL18321424 0.81 HTR2C (0.53) SIGMAR1HTR2CHTR6HTR2ATSHR
SCHEMBL7170745 0.81 HTR2C (0.42) SIGMAR1HTR2CHTR2BHTR6HTR2A
Hydrochloric Acid SCHEMBL7400956 0.80 HTR2C (0.54) SIGMAR1HTR2CHTR2BHTR6HTR2A
SCHEMBL11633937 0.80 SIGMAR1 (0.46) SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL1574167 0.80 HTR2C (0.43) SIGMAR1HTR2CHTR2BHTR6HTR2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61036262-A None JP disclosed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
US-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 US disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
EP-0759918-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LTD. (GB) 1997-03-05 EP disclosed
WO-1995032196-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-11-30 WO disclosed
JP-S6136262-A PIPERIDINO-PROPANE OR PIPERIDINO-PROPANOL DERIVATIVE AND PREPARATION THEREOF NIPPON IYAKUHIN KOGYO KK 1986-02-20 JP 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