SCHEMBL11337757

SCHEMBL11337757

O=C(C1CC1Cl)N(c1ccccc1)C1CCCC(F)CC1N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.42
▸ SIGMAR1 Q99720 8/20 0.39
▸ CHRM2 P08172 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11454633 0.90 OPRK1 (0.39) OPRK1SIGMAR1CHRM2CHRM3ALDH1A1
SCHEMBL11338316 0.81 SIGMAR1 (0.44) OPRK1SIGMAR1CHRM2CHRM3KDM4E
SCHEMBL11344639 0.75 SIGMAR1 (0.44) OPRK1SIGMAR1CHRM2CHRM3KDM4E
SCHEMBL11334994 0.74 MEN1 (0.45) OPRK1SIGMAR1CHRM2CHRM3KDM4E
SCHEMBL11348029 0.73 OPRM1 (0.49) OPRK1SIGMAR1CHRM3
SCHEMBL11454746 0.72 SIGMAR1 (0.51) OPRK1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11330704 0.72 ALDH1A1 (0.39) OPRK1SIGMAR1CHRM2CHRM3KDM4E
SCHEMBL11446429 0.72 SIGMAR1 (0.51) OPRK1SIGMAR1KDM4EMEN1NPC1
SCHEMBL11457073 0.72 SIGMAR1 (0.41) OPRK1SIGMAR1CHRM2CHRM3KDM4E
SCHEMBL11341260 0.72 SIGMAR1 (0.43) OPRK1SIGMAR1CHRM2CHRM3KDM4E

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-4199589-A N-(2-Aminocycloheptyl)acylanilides and methods to treat depression SZMUSZKOVICZ JACOB (US) 1980-04-22 — — US claimed
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
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