SCHEMBL11454754

SCHEMBL11454754

O=C(CCCl)N(c1ccc(Cl)cc1)C1CCCC1N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 13/20 0.53
▸ OPRK1 P41145 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11454732 0.99 SIGMAR1 (0.52) SIGMAR1OPRK1CYP3A4CYP2D6TSHR
SCHEMBL11335003 0.96 SIGMAR1 (0.55) SIGMAR1OPRK1CYP3A4CYP2D6TSHR
SCHEMBL11344642 0.96 SIGMAR1 (0.55) SIGMAR1OPRK1CYP3A4CYP2D6TSHR
SCHEMBL11447524 0.86 SIGMAR1 (0.57) SIGMAR1OPRK1CYP3A4CYP2D6TSHR
SCHEMBL11348032 0.83 SIGMAR1 (0.59) SIGMAR1OPRK1CYP3A4CYP2D6TSHR
SCHEMBL11434770 0.82 MEN1 (0.39) SIGMAR1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL11446841 0.82 SIGMAR1 (0.40) SIGMAR1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL11344639 0.81 SIGMAR1 (0.44) SIGMAR1OPRK1OPRM1ALDH1A1MEN1
SCHEMBL11454719 0.81 MEN1 (0.38) SIGMAR1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL11334994 0.81 MEN1 (0.45) SIGMAR1OPRK1OPRM1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156733-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-05-29 — — US claimed
US-4204003-A N-(2-Aminocyclopentyl)-N-alkanoylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1980-05-20 — — US disclosed
US-4159340-A N-(2-Aminocyclopentyl)-N-acylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4157398-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-06-05 — — US disclosed
US-4156733-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-05-29 — — US disclosed
US-4156015-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
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