SCHEMBL2853626

SCHEMBL2853626

NC1CCN(c2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.64
CASR P41180 6/20 0.50
CHRM4 P08173 6/20 0.48
ACACB O00763 1/20 0.48
DHFR P00374 1/20 0.48
PIM1 P11309 2/20 0.47
PIM2 Q9P1W9 1/20 0.47
CHRM2 P08172 2/20 0.45
CHRM1 P11229 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL30596350 1.00 NOTUM (0.64) NOTUMCASRCHRM4ACACBDHFR
SCHEMBL2854873 0.84 CASR (0.46) NOTUMCASRCHRM4CHRM2CHRM1
SCHEMBL8038976 0.81 DPP4 (0.55) DHFRFFAR4
SCHEMBL21624885 0.79 NOTUM (0.63) NOTUMCASR
SCHEMBL2854862 0.79 NOTUM (0.63) NOTUMCASR
SCHEMBL3060159 0.79 NOTUM (0.59) NOTUMCASRCHRM4ACACBDHFR
Hydrochloric Acid SCHEMBL9312337 0.78 NOTUM (0.61) NOTUMCASR
SCHEMBL32665255 0.78 NOTUM (0.43) NOTUM
SCHEMBL32665250 0.78 NOTUM (0.43) NOTUM
SCHEMBL2444666 0.78 NOTUM (0.62) NOTUMCASRCHRM4ACACBDHFR

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed