SCHEMBL11350690

SCHEMBL11350690

CCN(CCc1ccccc1)C1CC(Br)CCCC1N(C(=O)CCBr)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRM1 P35372 6/20 0.40
▸ OPRD1 P41143 4/20 0.39
▸ OPRK1 P41145 4/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ CHRM3 P20309 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ SLC22A1 O15245 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 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
SCHEMBL11454799 0.93 OPRM1 (0.41) L3MBTL1OPRM1OPRD1OPRK1MLYCD
SCHEMBL11454800 0.87 L3MBTL1 (0.43) L3MBTL1OPRM1OPRD1OPRK1MLYCD
SCHEMBL11350694 0.84 L3MBTL1 (0.45) L3MBTL1OPRM1OPRD1OPRK1MLYCD
SCHEMBL11331578 0.82 ALDH1A1 (0.40) OPRM1OPRD1OPRK1MLYCDCHRM3
SCHEMBL11333981 0.78 SLC18A3 (0.44) OPRM1OPRD1OPRK1CHRM3CHRM2
SCHEMBL11344671 0.75 ALDH1A1 (0.36) L3MBTL1OPRM1OPRD1OPRK1CHRM3
SCHEMBL11448317 0.75 ALDH1A1 (0.45) OPRM1OPRD1OPRK1MLYCDCHRM3
SCHEMBL11446905 0.74 MEN1 (0.38) OPRM1OPRD1OPRK1MLYCDCHRM3
SCHEMBL11437542 0.74 MEN1 (0.46) OPRM1OPRD1OPRK1MLYCDCHRM3
SCHEMBL11454500 0.74 SLC18A3 (0.46) L3MBTL1OPRM1OPRD1OPRK1MLYCD

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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