SCHEMBL7399183

SCHEMBL7399183

O=C(O)CCNC(=O)Cc1cccc(OCC2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.56
ITGA2B P08514 8/20 0.56
KDM1A O60341 5/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
ROCK1 Q13464 1/20 0.44
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ATM Q13315 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL3209903 0.78 HPGD (0.52) ATM
SCHEMBL18294085 0.77 SLC6A2 (0.51) KDM1ASLC6A2SLC6A4HTR3AKCNH2
SCHEMBL12614695 0.76 KDM5A (0.53) KDM5AKDM4CACACBACACA
SCHEMBL22365416 0.76 SLC6A2 (0.48) ITGB3ITGA2BKDM1ASLC6A2SLC6A4
SCHEMBL3208574 0.75 CA1 (0.60)
SCHEMBL15890893 0.74 KDM5A (0.50) KDM5AKDM4CACACBACACA
SCHEMBL15028329 0.74 HTT (0.57) ITGB3ITGA2B
SCHEMBL31457834 0.74 PPARG (0.52) ITGB3ITGA2BROCK1ACACB
SCHEMBL7396142 0.73 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL15890916 0.73 THRA (0.46) KDM5AKDM4CACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP claimed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP claimed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO claimed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed