SCHEMBL11438333

SCHEMBL11438333

O=C(OC1CC(Cl)CC1N(C(=O)CCCl)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMO O15229 3/20 0.34
▸ PTGDR2 Q9Y5Y4 4/20 0.33
▸ MITF O75030 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL11435695 0.87 CHRM3 (0.39) ALDH1A1KMT2AKDM4EMEN1CHRM1
SCHEMBL11442548 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMEN1CHRM3
SCHEMBL11441814 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMEN1CHRM3
SCHEMBL11436718 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1CHRM3
SCHEMBL11450498 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1CHRM3
SCHEMBL11450496 0.78 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1CHRM3
SCHEMBL11438337 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ACHRM5CHRM1CHRM3
SCHEMBL11465272 0.75 KMT2A (0.43) ALDH1A1KMT2AKDM4EMEN1CHRM3
SCHEMBL11454717 0.75 KMT2A (0.43) ALDH1A1KMT2AKDM4EMEN1CHRM3
SCHEMBL11434766 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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