SCHEMBL9312264

SCHEMBL9312264

CC1(C)CC(=O)Nc2cc(NC(=O)C=Cc3cccnc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 17/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
IMPDH2 P12268 1/20 0.47

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
SCHEMBL9314210 0.88 TRPV1 (0.53) IMPDH2
SCHEMBL9313377 0.88 MAPT (0.55) NPC1RAB9A
SCHEMBL9313383 0.88 MAPT (0.55) NPC1RAB9A
SCHEMBL9312470 0.83 TRPV1 (0.56)
SCHEMBL9312463 0.83 TRPV1 (0.56)
SCHEMBL9312484 0.82 ALDH1A1 (0.59) NPC1RAB9AIMPDH2
SCHEMBL9312489 0.82 ALDH1A1 (0.59) NPC1RAB9AIMPDH2
SCHEMBL9313168 0.80 MAPT (0.55) NPC1RAB9A
SCHEMBL9313174 0.80 MAPT (0.55) NPC1RAB9A
SCHEMBL9312240 0.79 TRPV1 (0.52)

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
US-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed