SCHEMBL11437822

SCHEMBL11437822

CCC(=O)N(c1ccc(Br)cc1)C1CCCC1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ OPRM1 P35372 5/20 0.37
▸ OPRD1 P41143 4/20 0.37
▸ OPRK1 P41145 2/20 0.37

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
SCHEMBL11456891 0.86 MEN1 (0.42) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11434729 0.86 OPRM1 (0.50) MEN1KMT2ASIGMAR1CHRM3OPRM1
SCHEMBL11434731 0.86 OPRM1 (0.50) MEN1KMT2ASIGMAR1CHRM3OPRM1
SCHEMBL11434689 0.83 MEN1 (0.40) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11436717 0.82 MEN1 (0.52) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11334220 0.82 MEN1 (0.44) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11443857 0.80 TACR1 (0.41) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11443856 0.80 TACR1 (0.41) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11442252 0.78 CHRM2 (0.36) MEN1KMT2ASIGMAR1CHRM2CHRM3
SCHEMBL11434897 0.76 MEN1 (0.39) MEN1KMT2ASIGMAR1CHRM2CHRM3

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
Send feedback