SCHEMBL10069972

SCHEMBL10069972

O=C(CC1CC1)Nc1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.68
KMT2A Q03164 1/20 0.68
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
RXFP1 Q9HBX9 1/20 0.52
EPHX2 P34913 1/20 0.51

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
SCHEMBL10069981 0.95 F2R (0.68) F2RKMT2ANPC1RAB9AEPHX2
SCHEMBL10069973 0.95 F2R (0.65) F2RKMT2ANPC1RAB9AEPHX2
SCHEMBL10069971 0.94 F2R (0.67) F2RKMT2ANPC1RAB9AEPHX2
SCHEMBL10069461 0.81 F2R (1.00) F2RKMT2ANPC1RAB9A
SCHEMBL10069458 0.80 F2R (0.90) F2RKMT2ANPC1RAB9ARXFP1
SCHEMBL29766853 0.79 F2R (1.00) F2RKMT2A
SCHEMBL882467 0.79 F2R (1.00) F2RKMT2A
SCHEMBL10069476 0.78 F2R (0.95) F2RKMT2ANPC1RAB9ARXFP1
SCHEMBL874580 0.78 F2R (1.00) F2RKMT2ANPC1RAB9A
SCHEMBL10069456 0.78 F2R (1.00) F2RKMT2ARXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed