SCHEMBL10069476

SCHEMBL10069476

O=C(Nc1cccc(NC(=O)C2CCC2)c1)c1ccccc1Br

nearest known ligand 0.95

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.95
KCNK3 O14649 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
KMT2A Q03164 1/20 0.59
RXFP1 Q9HBX9 4/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55

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
SCHEMBL10069456 0.97 F2R (1.00) F2RKCNK3KCNK9KMT2ARXFP1
SCHEMBL10069440 0.96 F2R (0.97) F2RKCNK3KCNK9KMT2ARXFP1
SCHEMBL10069458 0.95 F2R (0.90) F2RKCNK3KCNK9KMT2ARXFP1
SCHEMBL22362620 0.84 F2R (0.72) F2RKCNK3KCNK9KMT2ANPC1
SCHEMBL22362611 0.82 F2R (0.69) F2RKMT2ANPC1RAB9A
SCHEMBL10069973 0.81 F2R (0.65) F2RKMT2ANPC1RAB9A
SCHEMBL10069453 0.81 F2R (0.71) F2R
SCHEMBL10069981 0.79 F2R (0.68) F2RKMT2ANPC1RAB9A
SCHEMBL10069972 0.78 F2R (0.68) F2RKMT2ARXFP1NPC1RAB9A
SCHEMBL10069971 0.78 F2R (0.67) F2RKMT2ANPC1RAB9A

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