SCHEMBL8617159

SCHEMBL8617159

CC(=O)NCC(Cc1cccc(F)c1)C(=O)ON1CCC[C@@H](CCc2ccncc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
F10 P00742 6/20 0.36
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ROCK1 Q13464 1/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
GRIN2B Q13224 1/20 0.33
POLB P06746 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32

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
SCHEMBL8619292 0.86 GPBAR1 (0.34) F10ALDH1A1
SCHEMBL8618280 0.82 ITGB3 (0.34) ROCK1ITGB3ITGA2B
SCHEMBL8619325 0.80 MC4R (0.38) DPP4ALDH1A1ITGB3ITGA2B
SCHEMBL8621103 0.79 ACE (0.34) ALDH1A1LMNAITGB3ITGA2B
SCHEMBL8617240 0.78 ITGB3 (0.39) ALDH1A1OPRM1OPRD1LMNAITGB3
SCHEMBL8619314 0.78 MTNR1A (0.40) ALDH1A1ITGB3ITGA2B
SCHEMBL7322436 0.75 HRH3 (0.40) ALDH1A1ITGB3ITGA2B
SCHEMBL8621090 0.74 MTNR1A (0.36) ALDH1A1ELANEITGB3ITGA2B
SCHEMBL8619355 0.71 ITGB3 (0.39) DPP4ITGB3ITGA2B
SCHEMBL8899327 0.69 HRH3 (0.38) ALDH1A1LMNA

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