SCHEMBL11508799

SCHEMBL11508799

NC1CCCC1N(C(=O)C=CBr)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 7/20 0.48
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32

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
SCHEMBL11508798 1.00 TRPM8 (0.48) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11477639 0.96 TRPM8 (0.50) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11477635 0.96 TRPM8 (0.50) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11579712 0.83 TRPM8 (0.44) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11500743 0.80 TRPM8 (0.46) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11472079 0.79 TRPM8 (0.46) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11472081 0.79 TRPM8 (0.46) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11446742 0.76 MEN1 (0.45) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11472016 0.75 LMNA (0.37) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL11546924 0.72 MEN1 (0.47) TRPM8ALDH1A1SMN1; SMN2KDM4EMEN1

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
US-4156015-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
Send feedback