SCHEMBL11549687

SCHEMBL11549687

CCC(=O)N(c1ccccc1)C1CCCC(Cl)CC1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ OPRD1 P41143 4/20 0.46
▸ OPRK1 P41145 3/20 0.46
▸ SLC22A1 O15245 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44

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
SCHEMBL11347005 0.87 OPRM1 (0.47) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11454750 0.86 OPRM1 (0.53) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11546721 0.86 ALDH1A1 (0.49) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11550133 0.86 ALDH1A1 (0.49) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11348029 0.83 OPRM1 (0.49) OPRM1SIGMAR1OPRD1OPRK1SLC22A1
SCHEMBL11434729 0.81 OPRM1 (0.50) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11434731 0.81 OPRM1 (0.50) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11447557 0.81 OPRM1 (0.50) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11454751 0.80 OPRD1 (0.43) OPRM1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11447019 0.80 OPRM1 (0.49) OPRM1SIGMAR1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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