SCHEMBL11437571

SCHEMBL11437571

CC(=O)OC1CCCC1N(C(=O)CCCl)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ PKM P14618 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ BCL2A1 Q16548 2/20 0.31
▸ SLC18A3 Q16572 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31

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
SCHEMBL11436721 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11450497 0.87 MAPK1 (0.40) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11339656 0.85 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11438337 0.83 ALDH1A1 (0.43) ALDH1A1KMT2ANPC1SIGMAR1LMNA
SCHEMBL11435697 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11446841 0.83 SIGMAR1 (0.40) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11437911 0.81 RAB9A (0.37) ALDH1A1KMT2ANPC1RAB9ASIGMAR1
SCHEMBL11446987 0.81 CNR2 (0.39) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11434770 0.80 MEN1 (0.39) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL11332175 0.79 SIGMAR1 (0.42) ALDH1A1MEN1KMT2AKDM4ENPC1

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-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US claimed
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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