SCHEMBL14110449

SCHEMBL14110449

CC1CC1c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.74
HTR2A P28223 19/20 0.74
HTR2B P41595 18/20 0.74
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
SCHEMBL13119044 1.00 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119042 1.00 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL14110500 1.00 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119046 1.00 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119039 1.00 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL14149413 1.00 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL3552192 0.99 HTR2C (0.72) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119002 0.85 HTR2C (1.00) HTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL3558407 0.84 HTR2C (0.98) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118998 0.83 HTR2C (0.91) 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