SCHEMBL2857724

SCHEMBL2857724

O=C(NC1CCN(Cc2ccccc2)CC1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.53
CHRM4 P08173 2/20 0.47
SLC6A12 P48065 1/20 0.46

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
SCHEMBL2854763 0.95 DRD4 (0.50) SIGMAR1
SCHEMBL2859595 0.86 CHRM4 (0.53) CHRM4
SCHEMBL2863246 0.82 DRD4 (0.49) SIGMAR1
SCHEMBL2856452 0.81 DRD4 (0.47) SIGMAR1SLC6A12
SCHEMBL2857980 0.80 DRD4 (0.47) SIGMAR1CHRM4
SCHEMBL2853388 0.80 CCR1 (0.48)
SCHEMBL2855547 0.79 TAAR1 (0.54)
SCHEMBL2852970 0.78 DRD2 (0.51) SIGMAR1
SCHEMBL2856213 0.78 CNR1 (0.47)
SCHEMBL2848317 0.77 MAPT (0.46)

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