SCHEMBL11330691

SCHEMBL11330691

CN(C)CCN(C)C1CCCCCC1N(C(=O)CCCl)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ PYGL P06737 1/20 0.34
▸ SLC18A3 Q16572 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR5A P47898 1/20 0.33

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
SCHEMBL11465734 0.96 SIGMAR1 (0.37) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11346481 0.94 SIGMAR1 (0.36) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11454495 0.91 GAA (0.36) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11332175 0.89 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11332126 0.87 SLC18A3 (0.50) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11346088 0.86 SIGMAR1 (0.37) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11446841 0.85 SIGMAR1 (0.40) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11331001 0.84 SLC18A3 (0.48) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11341323 0.84 CNR2 (0.43) SIGMAR1MEN1KMT2ANPC1ALDH1A1
SCHEMBL11456844 0.84 SLC18A3 (0.48) SIGMAR1MEN1KMT2ANPC1ALDH1A1

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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