SCHEMBL7273468

SCHEMBL7273468

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.54
ITGA2B P08514 12/20 0.54
ITGAV P06756 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
F2 P00734 5/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 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
SCHEMBL7276387 1.00 ITGB3 (0.54) ITGB3ITGA2BITGAVALDH1A1LMNA
Water SCHEMBL8881986 0.94 ITGB3 (0.55) ITGB3ITGA2BITGAVF2F10
SCHEMBL8882295 0.93 ITGB3 (0.44) ITGB3ITGA2BALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7283412 0.91 ITGB3 (0.44) ITGB3ITGA2BALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7281006 0.91 ITGB3 (0.44) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL7273383 0.91 ITGB3 (0.45) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7275067 0.90 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7276310 0.90 ITGB3 (0.48) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7275113 0.90 ITGB3 (0.48) ITGB3ITGA2BITGAVALDH1A1LMNA
SCHEMBL7275315 0.90 ITGB3 (0.43) ITGB3ITGA2BITGAVALDH1A1LMNA

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 7 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 claimed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US claimed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP claimed
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