SCHEMBL18951306

SCHEMBL18951306

CC1CCCC(C(=O)NCCc2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HSD11B1 P28845 1/20 0.51
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX5AP P20292 1/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FPR3 P25089 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL20861762 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HSD11B1CYP3A4CYP1A2
SCHEMBL18786583 0.81 KMT2A (0.57) ALDH1A1SMN1; SMN2CYP3A4KDM4EPOLB
SCHEMBL28139608 0.79 HSD17B10 (0.56) ALDH1A1SMN1; SMN2CYP3A4KDM4EPOLB
SCHEMBL29542064 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HSD11B1CYP3A4CYP1A2
SCHEMBL21003258 0.78 ALOX5AP (0.48) ALDH1A1SMN1; SMN2HSD11B1CYP1A2ALOX5AP
SCHEMBL23062653 0.77 TRPM8 (0.52) ALDH1A1SMN1; SMN2HSD11B1CYP3A4CYP1A2
SCHEMBL31486820 0.77 TRPM8 (0.52) ALDH1A1SMN1; SMN2HSD11B1CYP3A4CYP1A2
SCHEMBL31658232 0.77 TRPM8 (0.52) ALDH1A1SMN1; SMN2HSD11B1CYP3A4CYP1A2
SCHEMBL1159800 0.77 TRPM8 (0.52) ALDH1A1SMN1; SMN2HSD11B1CYP3A4CYP1A2
SCHEMBL529952 0.77 TRPM8 (0.52) ALDH1A1SMN1; SMN2HSD11B1CYP3A4CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067301-A1 DERIVATIVES OF MENTHOL AND USES THEREOF BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2021-04-08 WO disclosed
WO-2017198284-A1 MENTHOL-CONTAINING AROMA PREPARATIONS SYMRISE AG (DE) 2017-11-23 WO disclosed
EP-2988606-B1 CHEWING GUM WITH LONG-LASTING FRESHNESS AND ITS MANUFACTURING PROCESS PERFETTI VAN MELLE SPA (IT) 2017-06-14 EP disclosed