SCHEMBL5636286

SCHEMBL5636286

O=C(O)N1CC[C@H]2[C@@H](C1)c1cc(CC3CCCCC3)cc3c1N2CCCS3

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.43
HTR2A P28223 19/20 0.43
DRD2 P14416 18/20 0.43
HTR2B P41595 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
SCHEMBL5638305 0.86 DRD2 (0.38) HTR2CHTR2ADRD2
SCHEMBL5635968 0.84 HTR2C (0.49) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636542 0.83 HTR2C (0.43) HTR2CHTR2ADRD2HTR2B
SCHEMBL5636907 0.82 HTR2C (0.49) HTR2CHTR2ADRD2
SCHEMBL5634927 0.82 HTR2C (0.44) HTR2CHTR2ADRD2HTR2B
SCHEMBL5635026 0.81 HTR2C (0.44) HTR2CHTR2ADRD2
SCHEMBL5636072 0.79 HTR2C (0.60) HTR2CHTR2ADRD2HTR2B
SCHEMBL5637084 0.79 HTR2C (0.43) HTR2CHTR2ADRD2HTR2B
SCHEMBL5638143 0.78 HTR2C (0.44) HTR2CHTR2ADRD2
SCHEMBL5636670 0.77 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