SCHEMBL11478753

SCHEMBL11478753

CN(C)[C@@H]1CC(Cl)CCC[C@H]1N(C(=O)C=CCl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ PKM P14618 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL11338200 1.00 TRPM8 (0.43) TRPM8ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL11447951 0.91 TRPM8 (0.42) TRPM8ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL11472079 0.86 TRPM8 (0.46) TRPM8ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL11472081 0.86 TRPM8 (0.46) TRPM8ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL11468500 0.81 TRPM8 (0.40) TRPM8ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL11347005 0.81 OPRM1 (0.47) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL11330704 0.81 ALDH1A1 (0.39) TRPM8ALDH1A1SMN1; SMN2MEN1NPC1
Maleic Acid SCHEMBL11332167 0.79 ALDH1A1 (0.42) TRPM8ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL11341207 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL11336631 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A

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
US-4199589-A N-(2-Aminocycloheptyl)acylanilides and methods to treat depression SZMUSZKOVICZ JACOB (US) 1980-04-22 — — US disclosed
US-4172898-A N-(2-aminocycloheptyl)acylanilides THE UPJOHN COMPANY (US) 1979-10-30 — — US disclosed
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