SCHEMBL11333981

SCHEMBL11333981

CN(CCc1ccccc1)C1CCC(Br)CCC1N(C(=O)CCBr)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.44
▸ OPRM1 P35372 5/20 0.42
▸ OPRD1 P41143 5/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ ALOX5 P09917 1/20 0.40

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
SCHEMBL11454499 0.86 SLC18A3 (0.44) SLC18A3OPRM1OPRD1OPRK1CHRM2
SCHEMBL11454500 0.83 SLC18A3 (0.46) SLC18A3OPRM1OPRD1OPRK1CHRM2
SCHEMBL11333982 0.82 SLC18A3 (0.47) SLC18A3OPRM1OPRD1OPRK1CHRM2
SCHEMBL11595372 0.78 SLC18A3 (0.50) SLC18A3OPRM1OPRD1OPRK1CHRM2
SCHEMBL11350690 0.78 L3MBTL1 (0.41) SLC18A3OPRM1OPRD1OPRK1CHRM2
SCHEMBL11334204 0.77 SLC18A3 (0.52) SLC18A3OPRM1OPRD1OPRK1CHRM2
SCHEMBL11454799 0.77 OPRM1 (0.41) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL11448317 0.75 ALDH1A1 (0.45) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL11456844 0.74 SLC18A3 (0.48) SLC18A3OPRM1OPRD1OPRK1CHRM2
SCHEMBL11331578 0.74 ALDH1A1 (0.40) OPRM1OPRD1OPRK1CHRM2CHRM3

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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