SCHEMBL11334994

SCHEMBL11334994

O=C(CCCl)N(c1ccccc1)C1CCCC(Cl)CC1N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SIGMAR1 Q99720 9/20 0.43
▸ CHRM2 P08172 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ OPRK1 P41145 4/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37

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
SCHEMBL11344639 0.99 SIGMAR1 (0.44) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL11454730 0.90 MEN1 (0.42) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL11454753 0.89 SIGMAR1 (0.41) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL11348029 0.87 OPRM1 (0.49) SIGMAR1CHRM3OPRK1OPRM1OPRD1
SCHEMBL11546721 0.83 ALDH1A1 (0.49) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL11550133 0.83 ALDH1A1 (0.49) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL11454732 0.82 SIGMAR1 (0.52) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL11331252 0.82 ALDH1A1 (0.48) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL11454754 0.81 SIGMAR1 (0.53) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL11341207 0.80 ALDH1A1 (0.46) MEN1KMT2AKDM4ENPC1MITF

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-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
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
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
US-4159339-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4156014-A N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
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