SCHEMBL11549690

SCHEMBL11549690

CCC(=O)N(c1ccc(Cl)cc1)C1CCCCCC1N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.39
▸ OPRM1 P35372 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRK1 P41145 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
SCHEMBL11454751 0.96 OPRD1 (0.43) OPRD1CNR2SIGMAR1OPRM1KDM4E
SCHEMBL11347007 0.86 SIGMAR1 (0.43) OPRD1CNR2SIGMAR1OPRM1KDM4E
SCHEMBL11546724 0.86 MEN1 (0.40) CNR2SIGMAR1KDM4EMEN1NPC1
SCHEMBL11447020 0.82 OPRD1 (0.42) OPRD1CNR2SIGMAR1OPRM1KDM4E
SCHEMBL11454719 0.82 MEN1 (0.38) OPRD1CNR2SIGMAR1KDM4EMEN1
SCHEMBL11348032 0.81 SIGMAR1 (0.59) OPRD1SIGMAR1OPRM1MEN1ALDH1A1
SCHEMBL11472080 0.78 LMNA (0.38) CNR2SIGMAR1KDM4EMEN1NPC1
SCHEMBL11550476 0.77 RAB9A (0.39) CNR2OPRM1KDM4EMEN1NPC1
SCHEMBL11447524 0.77 SIGMAR1 (0.57) OPRD1SIGMAR1OPRM1MEN1ALDH1A1
SCHEMBL11549687 0.76 OPRM1 (0.49) OPRD1SIGMAR1OPRM1KDM4EMEN1

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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