SCHEMBL6974493

SCHEMBL6974493

COc1cccc(C(CC(=O)O)NC(=O)CNC(=O)C(CCC2CCNCC2)CCC2CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGA2B P08514 9/20 0.47
GPR139 Q6DWJ6 2/20 0.43
ITGAV P06756 2/20 0.43
ITGB5 P18084 2/20 0.43
ITGB6 P18564 2/20 0.43
ITGB8 P26012 1/20 0.43
F2R P25116 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7953858 0.99 ITGB3 (0.47) ITGB3ITGA2BGPR139ITGAVITGB5
Hydrochloric Acid SCHEMBL7943692 0.90 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB5ITGB6
Hydrochloric Acid SCHEMBL7951859 0.89 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB5ITGB6
Hydrochloric Acid SCHEMBL7943472 0.89 ROCK2 (0.44) ITGB3ITGA2BGPR139MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7950007 0.87 POLB (0.49) ITGB3ITGA2BITGAVITGB5ITGB6
Hydrochloric Acid SCHEMBL7950058 0.85 LMNA (0.44) ITGB3ITGA2BMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL7955879 0.83 ITGB3 (0.43) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7951937 0.81 ITGB3 (0.58) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7950049 0.81 ITGB3 (0.41) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL6964089 0.81 ITGB3 (0.58) ITGB3ITGA2BITGAVITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed