SCHEMBL2777958

SCHEMBL2777958

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(F)cc2OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.47
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ACACB O00763 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCKBR P32239 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL2776593 0.86 KMT2A (0.50) CCR1KMT2A
SCHEMBL2774697 0.84 CCR1 (0.49) CCR1
SCHEMBL2776203 0.84 CCR1 (0.49) CCR1KMT2A
SCHEMBL2776919 0.83 CCR1 (0.48) CCR1KMT2A
SCHEMBL2773855 0.82 CCR1 (0.48) CCR1KMT2A
SCHEMBL6522508 0.81 HTR2C (0.42) HTR2CHTR2BACACBPARP1
SCHEMBL2775382 0.80 CCR1 (0.46) CCR1KMT2A
SCHEMBL2779822 0.79 CCR1 (0.46) CCR1KMT2A
SCHEMBL2775871 0.79 PTGDR (0.46) CCR1KMT2A
SCHEMBL2779054 0.79 CCR1 (0.43) CCR1KMT2A

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