SCHEMBL11437980

SCHEMBL11437980

CCCOC1CCCC1N(C(=O)CC(C)C(F)(F)F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.34

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
SCHEMBL11436157 0.77 OPRM1 (0.36) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11436426 0.69 MLYCD (0.42) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11450446 0.69 POLB (0.45) OPRM1ALDH1A1MEN1KMT2A
SCHEMBL11438624 0.67 MLYCD (0.39) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11443811 0.67 ALDH1A1 (0.39) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11446647 0.67 TP53 (0.48) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11447557 0.66 OPRM1 (0.50) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11437770 0.66 ALDH1A1 (0.40) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11446508 0.66 NPC1 (0.42) OPRM1OPRK1OPRD1ALDH1A1KDM4E
SCHEMBL11447586 0.65 MITF (0.47) OPRM1OPRK1OPRD1ALDH1A1KDM4E

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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