SCHEMBL11344671

SCHEMBL11344671

CCN(CC)C1CC(Br)CCCC1N(C(=O)C1CC1Br)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ OPRM1 P35372 4/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 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
SCHEMBL11447392 0.92 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11446778 0.79 OPRM1 (0.38) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11334445 0.76 KDM4E (0.40) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11466004 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11339568 0.75 OPRM1 (0.44) CHRM3OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL11334216 0.75 OPRM1 (0.44) CHRM3OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL11350690 0.75 L3MBTL1 (0.41) MEN1KMT2ACHRM2CHRM3OPRM1
SCHEMBL11443811 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11338296 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1NPC1MITF
SCHEMBL11331578 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1NPC1MITF

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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