SCHEMBL11447936

SCHEMBL11447936

O=C(CCBr)N(c1ccccc1)C1CC(Br)CC1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.41
▸ OPRD1 P41143 4/20 0.37
▸ OPRM1 P35372 3/20 0.37
▸ OPRK1 P41145 3/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11341260 0.90 SIGMAR1 (0.43) SIGMAR1OPRD1OPRM1OPRK1CHRM2
SCHEMBL11457120 0.90 SIGMAR1 (0.42) SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11454746 0.84 SIGMAR1 (0.51) SIGMAR1OPRK1MEN1KMT2AKDM4E
SCHEMBL11339650 0.83 SIGMAR1 (0.53) SIGMAR1OPRK1MEN1KMT2AKDM4E
SCHEMBL11338301 0.80 SIGMAR1 (0.45) SIGMAR1OPRM1OPRK1
SCHEMBL11446905 0.79 MEN1 (0.38) OPRD1OPRM1OPRK1CHRM2CHRM3
SCHEMBL11457073 0.79 SIGMAR1 (0.41) SIGMAR1OPRD1OPRM1OPRK1CHRM2
SCHEMBL11454753 0.78 SIGMAR1 (0.41) SIGMAR1OPRD1OPRM1OPRK1CHRM2
SCHEMBL11454730 0.77 MEN1 (0.42) SIGMAR1OPRD1OPRM1OPRK1CHRM2
SCHEMBL11434872 0.76 CHRM2 (0.37) OPRD1OPRM1OPRK1CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4204003-A N-(2-Aminocyclopentyl)-N-alkanoylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1980-05-20 — — US disclosed
US-4159340-A N-(2-Aminocyclopentyl)-N-acylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4157398-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-06-05 — — US disclosed
US-4156733-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-05-29 — — US disclosed
US-4156015-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
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