SCHEMBL2774053

SCHEMBL2774053

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.55
GPR119 Q8TDV5 1/20 0.53
EPHX2 P34913 1/20 0.47
FPR2 P25090 2/20 0.45
MLNR O43193 1/20 0.45
NAMPT P43490 1/20 0.45
SRD5A1 P18405 1/20 0.44
PROKR1 Q8TCW9 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PRKAA2 P54646 1/20 0.42

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
SCHEMBL2776242 0.89 HRH3 (0.57) HRH3GPR119EPHX2FPR2MLNR
SCHEMBL2775119 0.85 CCR1 (0.57) EPHX2
SCHEMBL2775803 0.85 CCR1 (0.55) HRH3EPHX2NAMPTSRD5A1
SCHEMBL2780495 0.85 CCR1 (0.55) HRH3EPHX2NAMPTSRD5A1
SCHEMBL2779327 0.85 DPP4 (0.46) HRH3GPR119NAMPT
SCHEMBL2777467 0.84 HRH3 (0.56) HRH3GPR119EPHX2FPR2MLNR
SCHEMBL2777291 0.83 EPHX2 (0.53) EPHX2FPR2NAMPTSRD5A1PROKR1
SCHEMBL2774368 0.83 EPHX2 (0.50) EPHX2NAMPTSRD5A1
SCHEMBL2773428 0.83 EPHX2 (0.49) EPHX2FPR2NAMPTSRD5A1PROKR1
Hydrochloric Acid SCHEMBL2776091 0.81 HRH3 (0.58) HRH3GPR119EPHX2FPR2MLNR

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
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed