SCHEMBL11338319

SCHEMBL11338319

O=C(CCF)N(c1ccc(F)cc1)C1CCCCCC1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 15/20 0.44
▸ OPRK1 P41145 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11457074 0.96 SIGMAR1 (0.42) SIGMAR1OPRK1OPRM1MEN1ALDH1A1
SCHEMBL11343008 0.89 SIGMAR1 (0.53) SIGMAR1OPRK1MEN1ALDH1A1RAB9A
SCHEMBL11446429 0.85 SIGMAR1 (0.51) SIGMAR1OPRK1MEN1ALDH1A1RAB9A
SCHEMBL11341263 0.81 SIGMAR1 (0.55) SIGMAR1OPRK1OPRM1MEN1ALDH1A1
SCHEMBL11339650 0.80 SIGMAR1 (0.53) SIGMAR1OPRK1MEN1ALDH1A1RAB9A
SCHEMBL11336355 0.79 SIGMAR1 (0.50) SIGMAR1OPRK1MEN1ALDH1A1RAB9A
SCHEMBL11336349 0.79 SIGMAR1 (0.50) SIGMAR1OPRK1MEN1ALDH1A1RAB9A
SCHEMBL11344642 0.79 SIGMAR1 (0.55) SIGMAR1OPRK1OPRM1MEN1ALDH1A1
SCHEMBL11335003 0.79 SIGMAR1 (0.55) SIGMAR1OPRK1OPRM1MEN1ALDH1A1
SCHEMBL11338316 0.78 SIGMAR1 (0.44) SIGMAR1OPRK1OPRM1MEN1ALDH1A1

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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