SCHEMBL9020503

SCHEMBL9020503

COC(=O)NC(C)Cc1ccc(CBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.58
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL13243495 0.87 ACACB (0.60) ACACBNPC1RAB9A
SCHEMBL9020783 0.85 ACACB (0.59) ACACBNPC1RAB9A
SCHEMBL25596399 0.85 ACACB (0.59) ACACBNPC1RAB9A
SCHEMBL165893 0.83 ACACB (0.58) ACACBNPC1RAB9A
SCHEMBL10948969 0.83 NPC1 (0.71) ACACBNPC1RAB9A
SCHEMBL15116559 0.83 NPC1 (0.71) ACACBNPC1RAB9A
SCHEMBL255697 0.80 ACACB (0.65) ACACB
SCHEMBL20943574 0.78 ACACB (0.66) ACACBNPC1RAB9A
SCHEMBL17931614 0.78 ACACB (0.66) ACACBNPC1RAB9A
SCHEMBL12001475 0.76 ACACB (0.81) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed