SCHEMBL5637084

SCHEMBL5637084

C=Cc1cc2c3c(c1)[C@@H]1CN(C(=O)O)CC[C@@H]1N3CCCS2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.43
HTR2A P28223 18/20 0.43
DRD2 P14416 17/20 0.43
HTR2B P41595 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
SCHEMBL5638600 0.87 HTR2C (0.47) HTR2CHTR2ADRD2HTR2B
SCHEMBL5637179 0.86 HTR2C (0.38) HTR2CHTR2ADRD2
SCHEMBL5636679 0.86 HTR2C (0.38) HTR2CHTR2ADRD2
SCHEMBL5637324 0.82 HTR2C (0.48) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636550 0.82 HTR2C (0.49) HTR2CHTR2ADRD2
SCHEMBL5634927 0.82 HTR2C (0.44) HTR2CHTR2ADRD2HTR2B
SCHEMBL5638593 0.81 HTR2C (0.43) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636542 0.81 HTR2C (0.43) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636670 0.80 HTR2C (0.46) HTR2CHTR2ADRD2HTR2B
SCHEMBL5638937 0.79 HTR2A (0.63) HTR2CHTR2ADRD2HTR2B

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