SCHEMBL18769864

SCHEMBL18769864

CC1CCC(C(C)C)C(C(=O)NC[C@@H](N)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.48
EPHX1 P07099 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 1/20 0.43
NTSR1 P30989 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KCNA5 P22460 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
P2RX4 Q99571 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL891299 1.00 TRPM8 (0.48) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL19058567 1.00 TRPM8 (0.48) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL18547997 1.00 TRPM8 (0.48) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL10193093 1.00 TRPM8 (0.48) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL18547814 1.00 TRPM8 (0.48) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL24540457 1.00 TRPM8 (0.48) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL2628727 0.89 TRPM8 (0.51) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL13465385 0.88 TAAR1 (0.60) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL24540270 0.88 TAAR1 (0.60) TRPM8EPHX1TAAR1MEN1NTSR1
SCHEMBL2628665 0.88 TAAR1 (0.60) TRPM8EPHX1TAAR1MEN1NTSR1

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-3365324-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS The Procter and Gamble Company (US) 2018-08-29 EP disclosed
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed