SCHEMBL7276103

SCHEMBL7276103

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
NR1D1 P20393 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 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
Hydrochloric Acid SCHEMBL7284174 0.91 ITGB3 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7276387 0.86 ITGB3 (0.54) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7273468 0.86 ITGB3 (0.54) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7273383 0.84 ITGB3 (0.45) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7272723 0.84 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7273872 0.83 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7275736 0.83 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7275190 0.83 ITGB3 (0.44) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7281006 0.81 ITGB3 (0.44) ITGB3ITGA2BF2F10CHRNB2
Hydrochloric Acid SCHEMBL7283412 0.81 ITGB3 (0.44) ITGB3ITGA2BF2F10CHRNB2

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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed