SCHEMBL7274777

SCHEMBL7274777

N=C(N)c1ccc2cc(C(=O)NCC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.43
F10 P00742 2/20 0.43
CHRM4 P08173 1/20 0.41
ITGB3 P05106 10/20 0.41
ITGA2B P08514 10/20 0.41
ITGAV P06756 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PLAU P00749 3/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL7281854 0.98 DRD4 (0.43) DRD4F10CHRM4ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7283406 0.91 ACHE (0.41) DRD4F10CHRM4ITGB3ITGA2B
Water SCHEMBL7275070 0.91 DRD4 (0.42) DRD4F10ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7281722 0.89 DRD4 (0.40) DRD4F10CHRM4ITGB3ITGA2B
Water SCHEMBL7271805 0.89 DRD4 (0.41) DRD4F10ITGB3ITGA2BITGAV
SCHEMBL7277096 0.86 ITGB3 (0.43) CHRM4ITGB3ITGA2BITGAV
SCHEMBL7274776 0.85 ITGB3 (0.45) F10ITGB3ITGA2BITGAVPRSS1
SCHEMBL7275068 0.84 ITGB3 (0.40) CHRM4ITGB3ITGA2BITGAV
SCHEMBL7275634 0.84 ITGB3 (0.42) CHRM4ITGB3ITGA2BITGAV
SCHEMBL7272558 0.83 ITGB3 (0.42) DRD4F10ITGB3ITGA2BITGAV

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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed