SCHEMBL2777053

SCHEMBL2777053

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ncc(Cl)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.48
KCNH2 Q12809 1/20 0.48
MMP1 P03956 1/20 0.43

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
SCHEMBL2776334 0.89 HMOX1 (0.53) CCR1KCNH2
SCHEMBL2778165 0.89 CCR1 (0.48) CCR1KCNH2
SCHEMBL2776929 0.87 LMNA (0.48) CCR1KCNH2
SCHEMBL2779821 0.87 CCR1 (0.47) CCR1KCNH2
SCHEMBL2776856 0.86 MMP1 (0.59) CCR1KCNH2MMP1
SCHEMBL2776253 0.86 LIPE (0.45) CCR1KCNH2
SCHEMBL2776114 0.85 ACACB (0.46) CCR1KCNH2
SCHEMBL2776637 0.84 CCR1 (0.45) CCR1KCNH2
SCHEMBL2777506 0.83 ALDH1A1 (0.44) CCR1KCNH2
SCHEMBL2774934 0.83 CCR1 (0.46) 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