SCHEMBL8881791

SCHEMBL8881791

CCNC(=O)c1ccccc1N1C(=O)[C@H](CC(=O)O)C[C@H]1COc1ccc(-c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.49
ITGA2B P08514 13/20 0.49
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 2/20 0.33
F10 P00742 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
NR1D1 P20393 1/20 0.33

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
Hydrochloric Acid SCHEMBL7310661 0.92 ITGB3 (0.41) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7275867 0.89 ITGB3 (0.55) ITGB3ITGA2BF2F10NR1D1
SCHEMBL7281034 0.89 ITGB3 (0.55) ITGB3ITGA2BF2F10NR1D1
SCHEMBL7275607 0.87 ITGB3 (0.51) ITGB3ITGA2BF2F10NR1D1
SCHEMBL7282014 0.87 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7285108 0.85 ITGB3 (0.49) ITGB3ITGA2BSMN1; SMN2F2F10
Hydrochloric Acid SCHEMBL7273888 0.83 ITGB3 (0.43) ITGB3ITGA2BNPC1RAB9AF2
SCHEMBL7275881 0.83 ITGB3 (0.59) ITGB3ITGA2BF2NR1D1
Hydrochloric Acid SCHEMBL7273623 0.82 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2F2F10
Water SCHEMBL8882684 0.82 ITGB3 (0.58) ITGB3ITGA2BF2NR1D1

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-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed