SCHEMBL21116015

SCHEMBL21116015

CC(C)Cc1cccc(-c2ccc(C(F)(F)F)c(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.51
CYP11B2 P19099 5/20 0.49
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP11B1 P15538 3/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL18015900 0.83 KIF11 (0.55) KIF11CYP11B2CYP11B1
SCHEMBL6600224 0.82 KIF11 (0.49) KIF11HTR2AHTR2CHTR2BFFAR1
SCHEMBL18014710 0.81 KIF11 (0.53) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL13118159 0.80 AGXT (0.59) KIF11HTR2AHTR2CHTR2BFFAR1
SCHEMBL3718586 0.80 KIF11 (0.56) KIF11CYP11B2CYP11B1
SCHEMBL28161128 0.79 CTSS (0.48) HTR2AHTR2CHTR2B
SCHEMBL21115995 0.78 HTR2A (0.63) HTR2AHTR2CHTR2B
SCHEMBL13533000 0.78 AGXT (0.56)
SCHEMBL24721248 0.77 KIF11 (0.56) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL21116472 0.76 TAAR1 (0.50) CYP11B2CYP11B1

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-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed