SCHEMBL11447250

SCHEMBL11447250

CCC(=O)N(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@H]1N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.45
▸ MLYCD O95822 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 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
SCHEMBL11465462 1.00 OPRM1 (0.45) OPRM1MLYCDKDM2BSIGMAR1KDM4E
SCHEMBL11447020 0.84 OPRD1 (0.42) OPRM1SIGMAR1KDM4EALDH1A1OPRD1
SCHEMBL11456891 0.83 MEN1 (0.42) OPRM1SIGMAR1CHRM3OPRD1OPRK1
SCHEMBL11447557 0.82 OPRM1 (0.50) OPRM1SIGMAR1KDM4EALDH1A1SLC22A1
SCHEMBL11347007 0.80 SIGMAR1 (0.43) OPRM1SIGMAR1KDM4EALDH1A1POLB
SCHEMBL11334220 0.79 MEN1 (0.44) OPRM1SIGMAR1POLBCHRM3OPRD1
SCHEMBL11341610 0.79 KDM4E (0.50) OPRM1SIGMAR1KDM4EALDH1A1OPRD1
Eclanamine SCHEMBL29388487 0.77 OPRK1 (0.41) OPRM1SIGMAR1ALDH1A1OPRD1OPRK1
Eclanamine SCHEMBL2109152 0.77 OPRK1 (0.41) OPRM1SIGMAR1ALDH1A1OPRD1OPRK1
Eclanamine SCHEMBL11446626 0.77 OPRK1 (0.41) OPRM1SIGMAR1ALDH1A1OPRD1OPRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4204003-A N-(2-Aminocyclopentyl)-N-alkanoylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1980-05-20 — — US disclosed
US-4159340-A N-(2-Aminocyclopentyl)-N-acylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4156015-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
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