SCHEMBL16770809

SCHEMBL16770809

CCCc1ccc(OC(F)(F)F)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR1 P34998 3/20 0.41
HMGCR P04035 1/20 0.41
GRIN2B Q13224 2/20 0.40
RUNX1 Q01196 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL10271938 0.87 APLNR (0.46) APLNRMEN1KMT2ACRHR1GRIN2B
SCHEMBL20563315 0.86 TAAR1 (0.53)
SCHEMBL6123805 0.83 APLNR (0.61) APLNRHMGCR
SCHEMBL21222989 0.82 APLNR (0.45) APLNRMEN1KMT2ACRHR1GRIN2B
SCHEMBL21313905 0.82 APLNR (0.45) APLNRMEN1KMT2ACRHR1GRIN2B
SCHEMBL3162756 0.82 APLNR (0.45) APLNRMEN1KMT2ACRHR1GRIN2B
SCHEMBL23055180 0.81 PDE2A (0.47)
SCHEMBL21222822 0.81 MEN1 (0.45) MEN1KMT2A
SCHEMBL30488628 0.81 MEN1 (0.45) MEN1KMT2A
SCHEMBL16961512 0.80 GPR3 (0.41)

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
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed