SCHEMBL5636459

SCHEMBL5636459

Clc1ccc(-c2ccc3c4c2c2c(n4CCCS3)CCNC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5636711 0.82 PNMT (0.34) HTR2CHTR2AMEN1KMT2AMAPT
SCHEMBL5637197 0.81 HTR2C (0.32) HTR2CMCHR1
SCHEMBL5635522 0.77 HTR2C (0.34) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL5636929 0.77 HTR2C (0.37) HTR2CHTR2AMEN1KMT2AMAPT
SCHEMBL5638608 0.77 HTR2C (0.50) HTR2CHTR2AMEN1KMT2AMAPT
SCHEMBL5638181 0.74 ESR2 (0.37) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL5635418 0.73 PNMT (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL5635399 0.73 HTR2C (0.39) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL5636305 0.72 HTR2C (0.48) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL6497657 0.71 HTR2C (0.38) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed