SCHEMBL11438363

SCHEMBL11438363

CCc1ccc(N(C(C)=O)C2CCCC2O)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ LMNA P02545 1/20 0.32

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
SCHEMBL11437822 0.71 MEN1 (0.42) CHRM2CHRM3
SCHEMBL11571464 0.69 CHRM2 (0.40) SLC18A3CHRM2CHRM3LMNA
SCHEMBL11443856 0.68 TACR1 (0.41) CHRM2CHRM3
SCHEMBL11443857 0.68 TACR1 (0.41) CHRM2CHRM3
SCHEMBL11338199 0.66 CHRM2 (0.39) SLC18A3CHRM2CHRM3LMNA
SCHEMBL11434729 0.65 OPRM1 (0.50) CHRM3
SCHEMBL11434731 0.65 OPRM1 (0.50) CHRM3
SCHEMBL11434897 0.64 MEN1 (0.39) SLC18A3CHRM2CHRM3
SCHEMBL11442252 0.63 CHRM2 (0.36) CHRM2CHRM3LMNA
SCHEMBL11436730 0.62 ALDH1A1 (0.38) SLC18A3PTGS1PTGS2

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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