SCHEMBL7909796

SCHEMBL7909796

CC(C(=O)Nc1cccc(C(=O)NCCC(=O)O)c1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 3/20 0.51
ITGA2 P17301 2/20 0.50
LMNA P02545 1/20 0.47
PAX8 Q06710 1/20 0.45
CHRM3 P20309 1/20 0.45
GAA P10253 1/20 0.44
EPHX2 P34913 2/20 0.43
GCGR P47871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRD1 P41143 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7906625 0.84 LMNA (0.46) ITGB3ITGA2LMNAPAX8GAA
SCHEMBL7909845 0.82 ITGB3 (0.56) ITGB3ITGA2BITGA2CHRM3GAA
Hydrochloric Acid SCHEMBL7909753 0.81 POLB (0.57) ITGB3ITGA2BITGA2CHRM3GAA
SCHEMBL7909438 0.80 ITGB3 (0.54) ITGB3ITGA2BITGA2LMNACHRM3
SCHEMBL7909440 0.79 ITGB3 (0.54) ITGB3ITGA2BITGA2LMNACHRM3
SCHEMBL7900157 0.78 ITGB3 (0.51) ITGB3ITGA2BITGA2CHRM3GAA
SCHEMBL8386242 0.76 EPHX2 (0.54) ITGB3ITGA2BITGA2LMNAPAX8
SCHEMBL8508634 0.75 SIGMAR1 (0.59) ITGB3ITGA2BCHRM3OPRD1
SCHEMBL7909451 0.74 ITGB3 (0.53) ITGB3ITGA2BITGA2CHRM3GAA
SCHEMBL9335419 0.73 ITGB3 (0.74) ITGB3ITGA2BITGA2GAAEPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608759-B1 Piperazine derivatives MERCK PATENT GMBH (DE) 2001-08-22 EP disclosed
CN-1056141-C Piperazine derivatives MERCK PATENT GESELLSCHAFTR MIT (DE) 2000-09-06 CN disclosed
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed
CN-1099759-A Piperazine derivatives MERCK PATENT GMBH (DE) 1995-03-08 CN disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP disclosed