SCHEMBL11331001

SCHEMBL11331001

CN(Cc1ccccc1)C1CCCCCC1N(C(=O)CCCl)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.48
▸ AGER Q15109 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ CNR2 P34972 1/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL11569473 0.97 SLC18A3 (0.46) SLC18A3AGERSMN1; SMN2MEN1KMT2A
SCHEMBL11332126 0.90 SLC18A3 (0.50) SLC18A3AGERSMN1; SMN2MEN1KMT2A
SCHEMBL11456844 0.86 SLC18A3 (0.48) SLC18A3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11332175 0.85 SIGMAR1 (0.42) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11330691 0.84 SIGMAR1 (0.38) SLC18A3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11330981 0.83 SLC18A3 (0.45) SLC18A3SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11338205 0.83 MITF (0.53) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11346088 0.83 SIGMAR1 (0.37) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11346481 0.82 SIGMAR1 (0.36) SLC18A3SMN1; SMN2MEN1KMT2AKDM4E
Ethylbenzene SCHEMBL11337300 0.82 AGER (0.40) AGERSMN1; SMN2MEN1KMT2AKDM4E

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 4 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-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
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