SCHEMBL8198319

SCHEMBL8198319

Cc1cc(C2CCCCC2)cc2c(CCN)c[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.61
HTR2A P28223 7/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EPHX2 P34913 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
MPO P05164 1/20 0.38
SLC6A4 P31645 1/20 0.38
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL6973292 0.76 HTR1D (1.00) HTR1DHTR2AMAPTNPSR1HTR1A
SCHEMBL6275287 0.75 HTR2A (0.61) HTR1DHTR2AMAPTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL7818127 0.75 HTR1D (0.97) HTR1DHTR2AMAPTNPSR1HTR1A
Hydrochloric Acid SCHEMBL7809624 0.74 NPSR1 (0.62) HTR1DHTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL24460194 0.70 HTR2A (0.54) HTR1DHTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL690659 0.66 HTR2A (1.00) HTR1DHTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL10789838 0.66 CNR2 (0.39) MAPTSMN1; SMN2EPHX2
Hydrochloric Acid SCHEMBL7818408 0.65 MAPT (1.00) HTR1DHTR2AMAPTSMN1; SMN2NPSR1
SCHEMBL20258549 0.65 MPO (0.53) HTR1DHTR2AMAPTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL31109030 0.65 MAPT (1.00) HTR1DHTR2AMAPTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090945-A HIGH AFFINITY FOR THE 5-HT1C RECEPTOR. ELI LILLY AND COMPANY (US) 2000-07-18 US disclosed
US-5861425-A CENTRAL NERVOUS SYSTEM DISORDERS FOR TREATMENT OF ANXIETY, ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5760051-A CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1998-06-02 US disclosed
US-5635528-A RECEPTOR BINDING MODULATORS, FOR CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5508284-A TREATING 5-HYDROXYTRYPTAMINE MODULATION ELI LILLY AND COMPANY (US) 1996-04-16 US disclosed
US-5500431-A ANTISEROTONINE AGENTS; SEXUAL AND EATING DISORDERS ELI LILLY AND COMPANY (US) 1996-03-19 US disclosed
WO-1994023720-A1 TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1994-10-27 WO disclosed
EP-0620222-A2 Tetrahydro-beta-carbolines ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed