SCHEMBL8623253

SCHEMBL8623253

CC(=O)NC(CC(=O)OC1CCCN(CCc2ccncc2)C1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ITGB3 P05106 5/20 0.38
ITGA2B P08514 4/20 0.38
SRC P12931 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CHRM1 P11229 1/20 0.35
ITGAV P06756 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
SCHEMBL8623091 0.83 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL8616963 0.80 HRH3 (0.47) KMT2AALDH1A1
SCHEMBL8623787 0.74 HRH3 (0.42) KMT2ASRCALDH1A1
SCHEMBL8620203 0.73 ITGB3 (0.41) KMT2AITGB3ITGA2BSRCALDH1A1
SCHEMBL8623903 0.67 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7371673 0.66 ITGB3 (0.51) KMT2AITGB3ITGA2BALDH1A1
SCHEMBL8624634 0.65 HRH3 (0.44) KMT2AALDH1A1
SCHEMBL8617256 0.65 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL1144523 0.65 KMT2A (0.55) KMT2AALDH1A1ROCK2ROCK1
SCHEMBL1460374 0.65 KMT2A (0.55) KMT2AALDH1A1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed