SCHEMBL8619355

SCHEMBL8619355

CC(=O)N[C@H](N)CC(=O)ON1CCCC(CCc2ccncc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.39
ITGA2B P08514 4/20 0.39
HRH3 Q9Y5N1 2/20 0.33
FAAH O00519 1/20 0.33
CYP19A1 P11511 2/20 0.32
GFER P55789 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
ITGAV P06756 1/20 0.32
CHRM3 P20309 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL7322436 0.82 HRH3 (0.40) ITGB3ITGA2BHRH3CYP19A1GFER
SCHEMBL8618280 0.80 ITGB3 (0.34) ITGB3ITGA2BHRH3FAAHCYP19A1
SCHEMBL8899327 0.80 HRH3 (0.38) HRH3FAAHCYP19A1GFERMEN1
SCHEMBL8621090 0.80 MTNR1A (0.36) ITGB3ITGA2BCYP19A1CHRM3
SCHEMBL8621103 0.74 ACE (0.34) ITGB3ITGA2BCYP19A1ITGAVCHRM3
SCHEMBL8619292 0.74 GPBAR1 (0.34)
SCHEMBL8617240 0.73 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL8619325 0.73 MC4R (0.38) ITGB3ITGA2BCYP19A1MEN1KMT2A
SCHEMBL8619314 0.71 MTNR1A (0.40) ITGB3ITGA2BCYP19A1MEN1KMT2A
SCHEMBL8618351 0.71 CYP19A1 (0.48) CYP19A1MEN1KMT2A

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