SCHEMBL4734756

SCHEMBL4734756

CCCOc1cnc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.58
CNR1 P21554 7/20 0.58
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.46
RAB9A P51151 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
SCHEMBL4733421 0.92 CNR2 (0.60) CNR2CNR1
SCHEMBL4732273 0.89 CNR2 (0.61) CNR2CNR1
SCHEMBL4729958 0.86 CNR2 (0.77) CNR2CNR1HIF1A
SCHEMBL4780813 0.84 CNR2 (0.80) CNR2CNR1
SCHEMBL4734178 0.81 CNR2 (0.65) CNR2CNR1
SCHEMBL4729643 0.81 CNR2 (0.77) CNR2CNR1
SCHEMBL4734332 0.79 CNR2 (0.63) CNR2CNR1
SCHEMBL4732901 0.79 CNR2 (0.79) CNR2CNR1
SCHEMBL4735443 0.79 CNR2 (0.60) CNR2CNR1
SCHEMBL4732937 0.79 CNR2 (0.68) CNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO claimed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed