SCHEMBL2774529

SCHEMBL2774529

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(F)c3cccnc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.41
GPR119 Q8TDV5 3/20 0.41
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
ERBB2 P04626 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL2775517 0.85 P2RY12 (0.40) CCR1KCNH2KMT2AP2RY12
Hydrochloric Acid SCHEMBL2777276 0.84 GPR119 (0.39) GPR119KCNH2L3MBTL1ERBB2KMT2A
SCHEMBL2775840 0.83 CCR1 (0.45) CCR1GPR119KCNH2TSHRKMT2A
SCHEMBL6524429 0.81 RBP4 (0.37) GPR119KCNH2L3MBTL1ERBB2
SCHEMBL2776203 0.79 CCR1 (0.49) CCR1TSHRKMT2A
SCHEMBL2774697 0.79 CCR1 (0.49) CCR1KCNH2
SCHEMBL3712937 0.79 GPR119 (0.47) GPR119L3MBTL1KMT2A
SCHEMBL2775696 0.78 EPHX2 (0.53) CCR1GPR119KCNH2TSHRKMT2A
SCHEMBL2774377 0.77 GPR119 (0.52) GPR119
SCHEMBL2776919 0.76 CCR1 (0.48) CCR1KCNH2TSHRKMT2A

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