SCHEMBL5636550

SCHEMBL5636550

O=C(O)N1CC[C@H]2[C@@H](C1)c1cc(/C=C/c3c(F)cccc3F)cc3c1N2CCCS3

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.49
DRD2 P14416 19/20 0.47
HTR2A P28223 19/20 0.47

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 0.89 HTR2C (0.47) HTR2CDRD2HTR2A
SCHEMBL5637446 0.88 HTR2C (0.43) HTR2CDRD2HTR2A
SCHEMBL5637324 0.86 HTR2C (0.48) HTR2CDRD2HTR2A
SCHEMBL5638593 0.83 HTR2C (0.43) HTR2CDRD2HTR2A
SCHEMBL5637084 0.82 HTR2C (0.43) HTR2CDRD2HTR2A
SCHEMBL5636181 0.81 HTR2C (0.72) HTR2CDRD2HTR2A
SCHEMBL5638937 0.79 HTR2A (0.63) HTR2CDRD2HTR2A
SCHEMBL5635914 0.78 DRD2 (0.42) HTR2CDRD2HTR2A
SCHEMBL5635968 0.76 HTR2C (0.49) HTR2CDRD2HTR2A
SCHEMBL5636907 0.76 HTR2C (0.49) HTR2CDRD2HTR2A

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