SCHEMBL11333982

SCHEMBL11333982

CN(CCc1ccccc1)C1CCCCCC1N(C(=O)CCBr)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.43
▸ OPRD1 P41143 5/20 0.42
▸ OPRM1 P35372 6/20 0.41
▸ OPRK1 P41145 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL11454500 0.97 SLC18A3 (0.46) SLC18A3SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11333981 0.82 SLC18A3 (0.44) SLC18A3SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11334204 0.79 SLC18A3 (0.52) SLC18A3SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11350694 0.78 L3MBTL1 (0.45) SLC18A3SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11338362 0.77 KDM4E (0.47) SIGMAR1OPRD1OPRM1OPRK1L3MBTL1
SCHEMBL11595372 0.76 SLC18A3 (0.50) SLC18A3SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11454800 0.75 L3MBTL1 (0.43) SLC18A3OPRD1OPRM1OPRK1L3MBTL1
SCHEMBL11332126 0.75 SLC18A3 (0.50) SLC18A3SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11454499 0.75 SLC18A3 (0.44) SLC18A3SIGMAR1OPRD1OPRM1OPRK1
SCHEMBL11448317 0.73 ALDH1A1 (0.45) SIGMAR1OPRD1OPRM1OPRK1MLYCD

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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