SCHEMBL14149175

SCHEMBL14149175

COc1ccc(Nc2cc(C)c3c(c2)[C@@H]2CNCCN2C3=O)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.53
HTR2B P41595 19/20 0.53
HTR2A P28223 18/20 0.53

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
SCHEMBL13118842 0.87 HTR2C (0.68) HTR2CHTR2BHTR2A
Trifluoroacetic Acid SCHEMBL3557536 0.83 HTR2C (0.61) HTR2CHTR2BHTR2A
SCHEMBL3563026 0.80 HTR2C (0.68) HTR2CHTR2BHTR2A
SCHEMBL13118845 0.77 HTR2C (0.63) HTR2CHTR2BHTR2A
Trifluoroacetic Acid SCHEMBL3563763 0.73 HTR2C (0.58) HTR2CHTR2BHTR2A
SCHEMBL11379514 0.72 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL11380467 0.72 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL13119029 0.70 HTR2A (0.72) HTR2CHTR2BHTR2A
SCHEMBL13119027 0.70 HTR2A (0.72) HTR2CHTR2BHTR2A
SCHEMBL13118882 0.70 HTR2C (1.00) HTR2CHTR2BHTR2A

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
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed