SCHEMBL11332124

SCHEMBL11332124

CN(CCc1ccccc1)C1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ OPRM1 P35372 5/20 0.41
▸ OPRK1 P41145 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ OPRD1 P41143 3/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL11456843 0.93 SLC18A3 (0.43) SLC18A3CHRM2CHRM3MEN1KMT2A
SCHEMBL11330678 0.91 ALDH1A1 (0.43) SLC18A3SIGMAR1CHRM2CHRM3MEN1
SCHEMBL11330981 0.90 SLC18A3 (0.45) SLC18A3SIGMAR1CHRM2CHRM3MEN1
SCHEMBL11346469 0.88 MEN1 (0.40) SLC18A3SIGMAR1CHRM2CHRM3MEN1
SCHEMBL11456844 0.87 SLC18A3 (0.48) SLC18A3SIGMAR1CHRM2CHRM3MEN1
SCHEMBL11332173 0.86 ALDH1A1 (0.46) SIGMAR1CHRM2CHRM3MEN1KMT2A
SCHEMBL11336631 0.86 ALDH1A1 (0.46) SIGMAR1CHRM2CHRM3MEN1KMT2A
SCHEMBL11341207 0.86 ALDH1A1 (0.46) SIGMAR1CHRM2CHRM3MEN1KMT2A
Hydrochloric Acid SCHEMBL11573548 0.85 ALDH1A1 (0.45) SIGMAR1CHRM2CHRM3MEN1KMT2A
SCHEMBL11346058 0.84 MEN1 (0.41) SIGMAR1CHRM2CHRM3MEN1KMT2A

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-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US claimed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — 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
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