SCHEMBL11545249

SCHEMBL11545249

O=c1ccccn1C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.46
CACNA1A O00555 2/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1C Q13936 1/20 0.44
OPRK1 P41145 5/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 1/20 0.44
OPRL1 P41146 1/20 0.44
BACE1 P56817 1/20 0.41
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 1/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP2D6 P10635 1/20 0.38
GLO1 Q04760 1/20 0.38

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
SCHEMBL11538981 0.85 GAA (0.43) OPRK1OPRM1CYP19A1ALDH1A1TSHR
SCHEMBL11540241 0.79 CYP19A1 (0.51) CACNA1ACACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL11537434 0.78 CYP19A1 (0.43) CACNA2D1CACNB1CACNA1BCACNA1COPRK1
SCHEMBL11538641 0.75 CYP19A1 (0.46) CACNA2D1CACNB1CACNA1BCACNA1COPRK1
SCHEMBL11540954 0.75 CYP19A1 (0.44) CACNA2D1CACNB1CACNA1BCACNA1COPRK1
SCHEMBL4994701 0.74 KDM4E (0.43) ACP3CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL11539967 0.70 CYP19A1 (0.44) ACP3CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL11534757 0.69 OPRM1 (0.43) OPRK1OPRM1OPRD1OPRL1CYP19A1
SCHEMBL15538650 0.68 MET (0.56) OPRK1OPRM1BACE1KIF11
SCHEMBL28495393 0.68 TSHR (0.56) ACP3CACNA1COPRK1OPRM1OPRD1

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
US-4138488-A Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-06 US disclosed