SCHEMBL11332173

SCHEMBL11332173

CN(C)[C@H]1CC(Cl)CCC[C@H]1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MITF O75030 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ CHRM2 P08172 3/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ OPRM1 P35372 4/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ OPRD1 P41143 3/20 0.35
▸ OPRK1 P41145 2/20 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
SCHEMBL11341207 1.00 ALDH1A1 (0.46) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL11336631 1.00 ALDH1A1 (0.46) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11573548 0.99 ALDH1A1 (0.45) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
Maleic Acid SCHEMBL11332167 0.94 ALDH1A1 (0.42) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL11446684 0.91 ALDH1A1 (0.51) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL11446840 0.91 ALDH1A1 (0.45) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL11447829 0.91 ALDH1A1 (0.45) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL11465725 0.91 ALDH1A1 (0.45) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL11330941 0.89 ALDH1A1 (0.45) ALDH1A1MITFSMN1; SMN2MEN1KMT2A
SCHEMBL11341126 0.89 ALDH1A1 (0.45) ALDH1A1MITFSMN1; SMN2MEN1KMT2A

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-4156014-A N-(2-aminocycloheptyl)alkanoylanilides and in the treatment of depression THE UPJOHN COMPANY (US) 1979-05-22 — — 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
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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