SCHEMBL8949275

SCHEMBL8949275

N=C(N)c1ccc(-c2ccc(N3CCC(CCC(=O)O)CC3)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
SCD O00767 3/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL8949403 0.89 ITGB3 (0.48) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949016 0.88 ITGB3 (0.43) ITGB3ITGA2BSCDNPC1RAB9A
Hydrochloric Acid SCHEMBL8949265 0.87 NPC1 (0.46) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949313 0.83 ITGB3 (0.53) ITGB3ITGA2BNPC1RAB9A
Hydrochloric Acid SCHEMBL8949201 0.81 NPC1 (0.47) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949376 0.80 ITGB3 (0.51) ITGB3ITGA2BNPC1RAB9A
SCHEMBL9258178 0.79 ITGB3 (0.46) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL8949328 0.78 ITGB3 (0.47) ITGB3ITGA2BSCDNPC1RAB9A
Hydrochloric Acid SCHEMBL8949079 0.76 NPC1 (0.41) ITGB3ITGA2BSCDNPC1RAB9A
SCHEMBL8949168 0.75 ITGB3 (0.43) ITGB3ITGA2BSCDNPC1RAB9A

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