SCHEMBL2776473

SCHEMBL2776473

Cc1nccnc1OC1CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.44
CCR1 P32246 7/20 0.40
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL2775840 0.84 CCR1 (0.45) GPR119CCR1KCNH2TSHR
SCHEMBL2774368 0.83 EPHX2 (0.50) CCR1KCNH2
SCHEMBL2775563 0.82 PIK3CD (0.46) GPR119
SCHEMBL2774679 0.82 EPHX2 (0.51) CCR1KCNH2
Hydrochloric Acid SCHEMBL2773474 0.81 PIK3CD (0.45) GPR119
SCHEMBL2776484 0.81 KMT2A (0.41) GPR119CCR1KCNH2
SCHEMBL2775696 0.80 EPHX2 (0.53) GPR119CCR1KCNH2TSHR
SCHEMBL2775758 0.80 ACACB (0.44) GPR119CCR1
SCHEMBL2776334 0.79 HMOX1 (0.53) CCR1KCNH2
SCHEMBL2776637 0.79 CCR1 (0.45) CCR1KCNH2

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