SCHEMBL8949376

SCHEMBL8949376

N=C(N)c1ccc(-c2ccc(N3CCN(CC(=O)O)CC3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.51
ITGA2B P08514 14/20 0.51
ALOX15 P16050 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.42

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
SCHEMBL8949313 0.89 ITGB3 (0.53) ITGB3ITGA2BNPC1RAB9A
Hydrochloric Acid SCHEMBL8949253 0.86 NPC1 (0.45) ITGB3ITGA2BALOX15NPC1RAB9A
SCHEMBL7381654 0.82 UBE2T (0.51) ITGB3ITGA2BALOX15
SCHEMBL8949403 0.82 ITGB3 (0.48) ITGB3ITGA2BNPC1RAB9A
SCHEMBL8949275 0.80 ITGB3 (0.46) ITGB3ITGA2BNPC1RAB9A
Hydrochloric Acid SCHEMBL8949072 0.80 NPC1 (0.48) ITGB3ITGA2BNPC1RAB9A
SCHEMBL7358257 0.79 ITGB3 (0.71) ITGB3ITGA2BALOX15
SCHEMBL8949328 0.76 ITGB3 (0.47) ITGB3ITGA2BNPC1RAB9A
SCHEMBL8949016 0.75 ITGB3 (0.43) ITGB3ITGA2BNPC1RAB9A
SCHEMBL9252483 0.75 ITGB3 (0.44) ITGB3ITGA2BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US claimed
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed