SCHEMBL8617240

SCHEMBL8617240

CC(=O)NCC(C(=O)ON1CCC[C@H](CCc2ccncc2)C1=O)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 2/20 0.39
ITGAV P06756 4/20 0.38
SLC1A2 P43004 3/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A1 P43005 2/20 0.35
KCNH2 Q12809 1/20 0.35
FKBP1A P62942 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8619325 0.85 MC4R (0.38) ITGB3ITGA2BFKBP1AALDH1A1MEN1
SCHEMBL8618280 0.84 ITGB3 (0.34) ITGB3ITGA2BFKBP1AHSD17B10MEN1
SCHEMBL8621103 0.84 ACE (0.34) ITGB3ITGA2BITGAVFKBP1AALDH1A1
SCHEMBL8619314 0.83 MTNR1A (0.40) ITGB3ITGA2BALDH1A1MEN1KMT2A
SCHEMBL7369685 0.80 ITGB3 (0.47) ITGB3ITGA2BITGAVSLC1A2SLC1A3
SCHEMBL7448188 0.80 ITGB3 (0.46) ITGB3ITGA2BITGAVSLC1A2SLC1A3
Hydrochloric Acid SCHEMBL7370233 0.79 ITGB3 (0.47) ITGB3ITGA2BITGAVSLC1A2SLC1A3
SCHEMBL8619292 0.79 GPBAR1 (0.34) SLC1A2SLC1A3SLC1A1KCNH2FKBP1A
SCHEMBL8617159 0.78 DPP4 (0.37) ITGB3ITGA2BALDH1A1OPRM1OPRD1
SCHEMBL7322436 0.77 HRH3 (0.40) ITGB3ITGA2BALDH1A1KDM4EMEN1

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