SCHEMBL21296542

SCHEMBL21296542

NC(=O)OC1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.54
DRD2 P14416 1/20 0.46
HCRTR2 O43614 2/20 0.46
NOTCH1 P46531 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
CHRM4 P08173 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
USP5 P45974 1/20 0.41
GUSB P08236 1/20 0.40
TRPV6 Q9H1D0 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
SCHEMBL28487568 0.81 HTR2C (0.45) HTR2CDRD2HTR2AHTR2BGUSB
SCHEMBL1065758 0.81 HTR2C (0.77) HTR2CDRD2HTR2AHTR2BTRPV6
SCHEMBL28487441 0.79 SCN9A (0.47) HTR2C
SCHEMBL24040028 0.78 AKR1C3 (0.47)
SCHEMBL28413632 0.78 AKR1C3 (0.47)
SCHEMBL24040040 0.78 AKR1C3 (0.47)
SCHEMBL28487048 0.78 SCN9A (0.46) HTR2CDRD2HCRTR2GUSB
SCHEMBL29042316 0.76 SLC6A2 (0.55) CHRM3
SCHEMBL29042338 0.76 SLC6A2 (0.55) CHRM3
SCHEMBL22816107 0.76 HTR2C (0.66) HTR2CDRD2HTR2AHTR2BUSP5

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-3759098-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS Genentech, Inc. (US) 2021-01-06 EP disclosed
WO-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed