SCHEMBL14022692

SCHEMBL14022692

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(CN)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.69
EPHX1 P07099 1/20 0.49
SERPINE1 P05121 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 1/20 0.39
P2RX4 Q99571 1/20 0.39

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
SCHEMBL2628763 0.89 TRPM8 (0.70) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL2628643 0.89 TRPM8 (0.70) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL367373 0.89 TRPM8 (0.70) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL15133477 0.89 TRPM8 (0.70) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL23187800 0.88 TRPM8 (0.66) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL1616599 0.88 TRPM8 (0.66) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL28589008 0.88 TRPM8 (0.66) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL12422177 0.88 TRPM8 (0.66) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL18241834 0.88 TRPM8 (0.66) TRPM8EPHX1SERPINE1MEN1KMT2A
SCHEMBL20226803 0.88 TRPM8 (0.66) TRPM8EPHX1SERPINE1MEN1KMT2A

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-2008138162-A1 COMPOSITIONS AND THEIR USE GIVAUDAN SA (CH) 2008-11-20 WO disclosed