SCHEMBL7284281

SCHEMBL7284281

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 5/20 0.34
PPARD Q03181 2/20 0.34
FFAR1 O14842 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADRA1D P25100 1/20 0.33
NR1D1 P20393 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 1/20 0.33
FFAR2 O15552 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7284122 0.93 ALDH1A1 (0.36) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL7273468 0.88 ITGB3 (0.54) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL7276387 0.88 ITGB3 (0.54) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL7284266 0.86 ALDH1A1 (0.36) ALDH1A1LMNAMAPTFFAR4OPRM1
SCHEMBL8882295 0.84 ITGB3 (0.44) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL7276130 0.83 ITGB3 (0.41) ITGB3ITGA2BALDH1A1LMNAMAPT
Water SCHEMBL8882300 0.83 ITGB3 (0.38) ITGB3ITGA2BALDH1A1LMNAMAPT
Water SCHEMBL8881986 0.82 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL7275504 0.82 ABCB1 (0.45) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL7276469 0.82 ABCB1 (0.45) ITGB3ITGA2BALDH1A1LMNAMAPT

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