SCHEMBL5636141

SCHEMBL5636141

O=C(O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(F)cc3Cl)cc3c1N2CCCS3

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.50
HTR2A P28223 18/20 0.46
DRD2 P14416 17/20 0.46

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
SCHEMBL5636581 0.89 HTR2C (0.45) HTR2CHTR2ADRD2
SCHEMBL5637598 0.82 HTR2C (0.69) HTR2CHTR2ADRD2
SCHEMBL5635056 0.82 HTR2C (0.46) HTR2CHTR2ADRD2
SCHEMBL5636478 0.82 HTR2C (0.35) HTR2CHTR2ADRD2
SCHEMBL5636907 0.80 HTR2C (0.49) HTR2CHTR2ADRD2
SCHEMBL5636180 0.80 HTR2C (0.54) HTR2CHTR2ADRD2
SCHEMBL5634987 0.80 HTR2C (0.54) HTR2CHTR2ADRD2
SCHEMBL5636670 0.79 HTR2C (0.46) HTR2CHTR2ADRD2
SCHEMBL5638083 0.78 HTR2C (0.40) HTR2CHTR2ADRD2
SCHEMBL5636301 0.78 HTR2C (0.62) HTR2CHTR2ADRD2

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