SCHEMBL2776593

SCHEMBL2776593

COc1cc(F)ccc1OC1CCN(C(=O)[C@@H](NC(=O)O)C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ CCR1 P32246 3/20 0.48
▸ PDE4B Q07343 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ GPR6 P46095 5/20 0.41
▸ ATM Q13315 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL2774697 0.90 CCR1 (0.49) CCR1GPR6
SCHEMBL2776203 0.90 CCR1 (0.49) KMT2ACCR1LMNATSHREPHX2
SCHEMBL2776919 0.89 CCR1 (0.48) KMT2ACCR1LMNATSHRGPR6
SCHEMBL2773855 0.88 CCR1 (0.48) KMT2ACCR1LMNATSHRGPR6
SCHEMBL2777958 0.86 CCR1 (0.47) KMT2ACCR1
SCHEMBL2775382 0.85 CCR1 (0.46) KMT2ACCR1LMNATSHREPHX2
SCHEMBL2775871 0.85 PTGDR (0.46) KMT2ACCR1PDE4BLMNATSHR
SCHEMBL2779822 0.83 CCR1 (0.46) KMT2ACCR1LMNATSHRGPR6
SCHEMBL2774930 0.83 CCR1 (0.43) KMT2ACCR1LMNATSHRGPR6
SCHEMBL2775803 0.83 CCR1 (0.55) KMT2ACCR1LMNATSHREPHX2

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
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