SCHEMBL7442972

SCHEMBL7442972

COC[C@H](CNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCNCC2)C1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.49
ITGA2B P08514 18/20 0.49
F2R P25116 11/20 0.46
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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 SCHEMBL7439765 0.88 ITGB3 (0.51) ITGB3ITGA2BF2RKMT2A
SCHEMBL7443492 0.85 KMT2A (0.41) ITGB3ITGA2BF2RKMT2A
SCHEMBL7441383 0.85 ITGB3 (0.51) ITGB3ITGA2BF2RKMT2A
SCHEMBL6539873 0.84 ITGB3 (0.52) ITGB3ITGA2BF2RKMT2A
SCHEMBL7445041 0.83 ITGB3 (0.48) ITGB3ITGA2BF2RKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL7451108 0.83 ITGB3 (0.47) ITGB3ITGA2BF2RKMT2A
SCHEMBL7432848 0.83 ITGB3 (0.51) ITGB3ITGA2BF2RKMT2A
SCHEMBL6538748 0.82 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL14426998 0.82 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7439975 0.82 ITGB3 (0.51) ITGB3ITGA2BF2RKMT2A

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-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US 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