SCHEMBL7445041

SCHEMBL7445041

COc1ccc(CC[C@H](CNC(=O)[C@@H]2CCCN(C(=O)/C=C/C3CCNCC3)C2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.41
F2R P25116 1/20 0.41
TP53 P04637 2/20 0.40
THRB P10828 2/20 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
SCHEMBL7442978 0.90 ITGB3 (0.48) ITGB3ITGA2BRAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL7448705 0.90 ITGB3 (0.53) ITGB3ITGA2BRAB9AALDH1A1GAA
SCHEMBL7463087 0.87 RAB9A (0.44) RAB9AALDH1A1GAANPC1KMT2A
SCHEMBL7445034 0.84 ITGB3 (0.57) ITGB3ITGA2BRAB9AALDH1A1GAA
SCHEMBL7442972 0.83 ITGB3 (0.49) ITGB3ITGA2BSMN1; SMN2KMT2AF2R
Hydrochloric Acid SCHEMBL7498752 0.83 ITGB3 (0.61) ITGB3ITGA2BF2R
SCHEMBL7441383 0.81 ITGB3 (0.51) ITGB3ITGA2BRAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL7439765 0.81 ITGB3 (0.51) ITGB3ITGA2BKMT2AF2R
SCHEMBL7450244 0.79 KMT2A (0.45) ITGB3ITGA2BRAB9AALDH1A1GAA
SCHEMBL7443415 0.78 KMT2A (0.43) RAB9AALDH1A1NPC1KMT2AMEN1

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed