SCHEMBL18786181

SCHEMBL18786181

CC1CC[C@@H](C(C)C)C(C(=O)NCCNC(=O)CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.50
EPHX1 P07099 4/20 0.42
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TRPV1 Q8NER1 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC8 Q9BY41 1/20 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
SCHEMBL18583489 1.00 TRPM8 (0.50) TRPM8EPHX1TLR2TLR1TRPV1
SCHEMBL18563058 0.86 TRPM8 (0.52) TRPM8EPHX1TLR2TLR1TRPV1
SCHEMBL18547621 0.83 TRPM8 (0.53) TRPM8EPHX1TRPV1
SCHEMBL18547556 0.82 TRPM8 (0.61) TRPM8EPHX1TRPV1
SCHEMBL18583870 0.82 TRPM8 (0.61) TRPM8EPHX1TRPV1
SCHEMBL18583642 0.81 TRPM8 (0.50) TRPM8EPHX1TRPV1
SCHEMBL14197475 0.80 TRPM8 (0.51) TRPM8EPHX1TRPV1
SCHEMBL18583635 0.79 CYP3A4 (0.41) TRPM8TLR2TLR1TRPV1MEN1
SCHEMBL18583440 0.78 EPHX1 (0.54) TRPM8EPHX1TRPV1ALDH1A1
SCHEMBL18786188 0.78 TRPM8 (0.55) TRPM8EPHX1TRPV1MEN1KMT2A

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-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed