SCHEMBL2773855

SCHEMBL2773855

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2ccc(F)cc2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.48
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
SCD O00767 1/20 0.40
GPR6 P46095 2/20 0.39
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
KCNH2 Q12809 1/20 0.39
IKBKB O14920 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
SCHEMBL2776203 0.90 CCR1 (0.49) CCR1KMT2ALMNATSHRGPR6
SCHEMBL2774697 0.90 CCR1 (0.49) CCR1GPR6KCNH2
SCHEMBL2776919 0.89 CCR1 (0.48) CCR1KMT2ALMNATSHRGPR6
SCHEMBL2776593 0.88 KMT2A (0.50) CCR1KMT2ALMNATSHRGPR6
SCHEMBL2775382 0.85 CCR1 (0.46) CCR1KMT2ALMNATSHRGPR6
SCHEMBL2775871 0.83 PTGDR (0.46) CCR1KMT2ALMNATSHRGPR6
SCHEMBL2779822 0.83 CCR1 (0.46) CCR1KMT2ALMNATSHRGPR6
SCHEMBL2774930 0.83 CCR1 (0.43) CCR1KMT2ALMNATSHRGPR6
SCHEMBL2780495 0.83 CCR1 (0.55) CCR1KMT2ALMNATSHRKCNH2
SCHEMBL2775803 0.83 CCR1 (0.55) CCR1KMT2ALMNATSHRKCNH2

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