SCHEMBL11338301

SCHEMBL11338301

CCCC(=O)N(c1ccccc1)C1CCCC(Br)CC1N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 0.45
▸ OPRM1 P35372 4/20 0.40
▸ OPRK1 P41145 3/20 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
SCHEMBL11341260 0.90 SIGMAR1 (0.43) SIGMAR1OPRM1OPRK1
SCHEMBL11457120 0.90 SIGMAR1 (0.42) SIGMAR1OPRM1OPRK1
SCHEMBL11457121 0.81 SIGMAR1 (0.55) SIGMAR1OPRM1OPRK1
SCHEMBL11454746 0.81 SIGMAR1 (0.51) SIGMAR1OPRK1
SCHEMBL11447936 0.80 SIGMAR1 (0.41) SIGMAR1OPRM1OPRK1
SCHEMBL11348029 0.79 OPRM1 (0.49) SIGMAR1OPRM1OPRK1
SCHEMBL11446429 0.78 SIGMAR1 (0.51) SIGMAR1OPRK1
SCHEMBL11344639 0.78 SIGMAR1 (0.44) SIGMAR1OPRM1OPRK1
SCHEMBL11338316 0.78 SIGMAR1 (0.44) SIGMAR1OPRM1OPRK1
SCHEMBL11338303 0.78 SIGMAR1 (0.57) SIGMAR1OPRM1OPRK1

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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