SCHEMBL5636083

SCHEMBL5636083

COC(=O)/C=C\c1cc(OC)ccc1-c1cc2c3c(c1)[C@@H]1CN(C(=O)O)CC[C@@H]1N3CCCS2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.37
HTR2A P28223 17/20 0.36
DRD2 P14416 16/20 0.36
HTR2B P41595 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5636382 1.00 HTR2C (0.37) HTR2CHTR2ADRD2HTR2BL3MBTL1
SCHEMBL6756112 0.91 ALDH1A1 (0.35) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636571 0.91 ALDH1A1 (0.35) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636495 0.91 HTR2C (0.40) HTR2CHTR2ADRD2HTR2B
SCHEMBL5635426 0.89 HTR2C (0.39) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636454 0.89 HTR2C (0.39) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636295 0.87 HTR2C (0.53) HTR2CHTR2ADRD2HTR2BL3MBTL1
SCHEMBL5637552 0.87 HTR2C (0.53) HTR2CHTR2ADRD2HTR2BL3MBTL1
SCHEMBL5636867 0.86 KDM4E (0.41) HTR2CHTR2ADRD2HTR2B
SCHEMBL5635056 0.85 HTR2C (0.46) 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 1 patent. 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