SCHEMBL7273383

SCHEMBL7273383

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
LTA4H P09960 1/20 0.37
FFAR1 O14842 3/20 0.36
ESR1 P03372 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
PRSS1 P07477 3/20 0.35
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
TMPRSS15 P98073 1/20 0.35

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
SCHEMBL7275190 0.97 ITGB3 (0.44) ITGB3ITGA2BS1PR1S1PR3LTA4H
Hydrochloric Acid SCHEMBL7274645 0.91 ITGB3 (0.41) ITGB3ITGA2BPRSS1F2F10
SCHEMBL7273468 0.91 ITGB3 (0.54) ITGB3ITGA2BPRSS1F2F10
SCHEMBL7276387 0.91 ITGB3 (0.54) ITGB3ITGA2BPRSS1F2F10
Hydrochloric Acid SCHEMBL7280291 0.88 ITGB3 (0.40) ITGB3ITGA2BPRSS1F2F10
Hydrochloric Acid SCHEMBL7281006 0.85 ITGB3 (0.44) ITGB3ITGA2BLTA4HF2F10
Hydrochloric Acid SCHEMBL7283412 0.85 ITGB3 (0.44) ITGB3ITGA2BLTA4HF2F10
Hydrochloric Acid SCHEMBL7275028 0.85 ITGB3 (0.41) ITGB3ITGA2BPRSS1F2F10
Water SCHEMBL8881986 0.84 ITGB3 (0.55) ITGB3ITGA2BPRSS1F2F10
SCHEMBL7276103 0.84 ITGB3 (0.44) ITGB3ITGA2BS1PR1S1PR3PRSS1

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