SCHEMBL11434873

SCHEMBL11434873

O=C(CCBr)N(c1ccc(Br)cc1)C1CCCC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.42
▸ CHRM3 P20309 7/20 0.42
▸ MLYCD O95822 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PAX8 Q06710 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
SCHEMBL11436426 0.82 MLYCD (0.42) CHRM2CHRM3MLYCDENPP2CHRM5
SCHEMBL11454800 0.77 L3MBTL1 (0.43) CHRM2CHRM3MLYCDOPRM1OPRD1
SCHEMBL11434872 0.77 CHRM2 (0.37) CHRM2CHRM3CHRM5CHRM1OPRM1
SCHEMBL11437770 0.77 ALDH1A1 (0.40) CHRM2CHRM3MLYCDOPRM1OPRD1
SCHEMBL11446906 0.76 SIGMAR1 (0.39) CHRM2CHRM3MLYCDKCNH2HRH3
SCHEMBL11434689 0.75 MEN1 (0.40) CHRM2CHRM3OPRM1OPRD1OPRK1
SCHEMBL11350694 0.74 L3MBTL1 (0.45) CHRM2CHRM3MLYCDKCNH2HRH3
SCHEMBL11437542 0.73 MEN1 (0.46) CHRM2CHRM3MLYCDOPRM1OPRD1
SCHEMBL11447938 0.73 SIGMAR1 (0.53) CHRM2CHRM3KCNH2HRH3OPRM1
SCHEMBL11331580 0.72 SIGMAR1 (0.41) CHRM2CHRM3MLYCDKCNH2HRH3

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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