SCHEMBL8949168

SCHEMBL8949168

N=C(N)c1ccc(-c2ccc(N3CCCC(OCC(=O)O)C3)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.43
ITGA2B P08514 9/20 0.43
SCD O00767 3/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
UBE2T Q9NPD8 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36

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
SCHEMBL8949328 0.94 ITGB3 (0.47) ITGB3ITGA2BSCDNPC1RAB9A
Hydrochloric Acid SCHEMBL8949331 0.89 NPC1 (0.41) ITGB3ITGA2BSCDNPC1RAB9A
Hydrochloric Acid SCHEMBL8949350 0.83 NPC1 (0.42) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949016 0.82 ITGB3 (0.43) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949403 0.77 ITGB3 (0.48) ITGB3ITGA2BSCDNPC1RAB9A
Hydrochloric Acid SCHEMBL8949079 0.76 NPC1 (0.41) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949275 0.75 ITGB3 (0.46) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949376 0.74 ITGB3 (0.51) ITGB3ITGA2BNPC1RAB9A
SCHEMBL8949313 0.72 ITGB3 (0.53) ITGB3ITGA2BNPC1RAB9A
SCHEMBL8949037 0.72 NPC1 (0.41) SCDNPC1RAB9AMAPT

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-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