SCHEMBL11450446

SCHEMBL11450446

CCCOC1CCCC1N(C(=O)CCOC)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ SIGMAR1 Q99720 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TRPM8 Q7Z2W7 3/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRM3 P20309 4/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM5 P08912 3/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRM1 P35372 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
SCHEMBL11454737 0.83 SIGMAR1 (0.43) POLBSIGMAR1TRPM8CHRM3CHRM2
SCHEMBL11341305 0.80 SIGMAR1 (0.45) POLBSIGMAR1TRPM8MAPTHPGD
SCHEMBL11572457 0.77 TSHR (0.41) POLBSIGMAR1TSHRTRPM8MAPT
SCHEMBL11571013 0.76 SLC18A3 (0.44) SIGMAR1TRPM8CHRM3CHRM2CHRM5
SCHEMBL11347000 0.74 SIGMAR1 (0.41) POLBSIGMAR1TSHRTRPM8MAPT
SCHEMBL11330427 0.73 SLC18A3 (0.46) SIGMAR1TRPM8L3MBTL1CHRM3CHRM2
SCHEMBL11450445 0.72 TP53 (0.36) SIGMAR1TSHRMAPTOPRM1
SCHEMBL11437590 0.71 MEN1 (0.43) TRPM8CHRM3CHRM2MEN1ALDH1A1
SCHEMBL11465401 0.71 ALDH1A1 (0.43) SIGMAR1TRPM8CHRM3CHRM2MEN1
SCHEMBL11450497 0.70 MAPK1 (0.40) POLBSIGMAR1TSHRALOX15L3MBTL1

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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