SCHEMBL2853624

SCHEMBL2853624

NC(=O)C1[CH]CCN1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
FFAR4 Q5NUL3 1/20 0.41
HSD11B1 P28845 1/20 0.40
CHRM4 P08173 4/20 0.40
MGLL Q99685 1/20 0.39
EPHX1 P07099 1/20 0.39
DHFR P00374 1/20 0.39
ACACB O00763 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
KCNH2 Q12809 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
FAAH O00519 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
MLYCD O95822 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
SCHEMBL2854871 0.86 KCNA5 (0.39) FFAR4HSD11B1MGLLEPHX1
SCHEMBL2854859 0.82 NOTUM (0.47) NOTUM
SCHEMBL18825893 0.74 NOTUM (0.71) NOTUMFFAR4HSD11B1CHRM4MGLL
SCHEMBL27832133 0.68 NOTUM (0.42) NOTUMFFAR4EPHX1DHFRACACB
SCHEMBL3711341 0.68 DHFR (0.49) NOTUMFFAR4CHRM4DHFRPDE4B
SCHEMBL6498392 0.68 NOTUM (0.85) NOTUMFFAR4CHRM4PDE4BPDE4D
SCHEMBL27999922 0.67 NOTUM (0.61) NOTUMFFAR4CHRM4DHFRFAAH
SCHEMBL3707661 0.66 SCD (0.52) NOTUMFFAR4CHRM4DHFRFAAH
SCHEMBL9273396 0.66 NOTUM (0.59) NOTUMFFAR4HSD11B1CHRM4MGLL
SCHEMBL5239776 0.66 KMT2A (0.71) NOTUMEPHX1

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