SCHEMBL14110341

SCHEMBL14110341

CC=Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.76
HTR2A P28223 19/20 0.76
HTR2B P41595 18/20 0.76
CYP3A4 P08684 1/20 0.66

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
SCHEMBL13119018 1.00 HTR2C (0.76) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118965 1.00 HTR2C (0.76) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL14110342 1.00 HTR2C (0.76) HTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL3556447 0.99 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL3556445 0.99 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL14110497 0.86 HTR2C (1.00) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118872 0.86 HTR2C (1.00) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL14110383 0.86 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118971 0.86 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL3555086 0.85 HTR2C (0.98) HTR2CHTR2AHTR2BCYP3A4

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 claimed