SCHEMBL2854871

SCHEMBL2854871

NC(=O)C1[CH]CCN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
EPHX2 P34913 6/20 0.39
LIPE Q05469 5/20 0.38
HSD11B1 P28845 1/20 0.38
EPHX1 P07099 1/20 0.37
MGLL Q99685 1/20 0.37
ESR1 P03372 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL2853624 0.86 NOTUM (0.49) HSD11B1EPHX1MGLLFFAR4
SCHEMBL18825722 0.72 FFAR4 (0.57) KCNA5FFAR4
Hydrochloric Acid SCHEMBL16742024 0.69 LGMN (0.42) EPHX2
SCHEMBL2687452 0.69 CHRNB2 (0.40)
SCHEMBL16695431 0.69 FFAR4 (0.45) EPHX2EPHX1FFAR4
SCHEMBL12696715 0.68 SCN9A (0.44) KCNA5EPHX2FFAR4
SCHEMBL3176461 0.68 POLB (0.42)
SCHEMBL20840880 0.67 EPHX2 (0.46) EPHX2LIPEEPHX1FFAR4
SCHEMBL30022640 0.66 KCNA5 (0.51) KCNA5
SCHEMBL12717115 0.65 FFAR4 (0.72) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed