SCHEMBL3785408

SCHEMBL3785408

OC1CC2(CCNCC2)Oc2c(Br)cccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 12/20 0.50
TRPV1 Q8NER1 4/20 0.48
OPRD1 P41143 4/20 0.43
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 3/20 0.35
KCNH2 Q12809 3/20 0.35
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33

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
SCHEMBL3794699 0.83 TRPM8 (0.50) TRPM8TRPV1OPRD1HTR2BCYP2D6
Hydrochloric Acid SCHEMBL3709812 0.82 OPRD1 (0.42) TRPM8TRPV1OPRD1HTR1AHTR7
SCHEMBL30538347 0.77 OPRD1 (0.65) TRPV1OPRD1HTR2BCYP2D6KCNH2
SCHEMBL12481110 0.77 OPRD1 (0.65) TRPV1OPRD1HTR2BCYP2D6KCNH2
SCHEMBL30538352 0.75 HTR2C (0.44) TRPM8OPRD1CYP2D6KCNH2
SCHEMBL3789581 0.71 TRPM8 (0.53) TRPM8TRPV1HTR2B
SCHEMBL5723045 0.69 ALDH1A1 (0.43) TRPM8TRPV1HTR2B
SCHEMBL28385331 0.69 OPRD1 (0.55) TRPV1OPRD1HTR2BCYP2D6KCNH2
SCHEMBL16314494 0.69 TRPM8 (0.53) TRPM8TRPV1
Trifluoroacetic Acid SCHEMBL3716225 0.69 TRPM8 (0.51) TRPM8TRPV1

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
WO-2010103381-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES AS TRPM 8 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-16 WO disclosed