SCHEMBL1376735

SCHEMBL1376735

CCC(c1ccccc1)N(CC)CCC1=CC(=O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MAPT P10636 1/20 0.32
KAT2B Q92831 1/20 0.31
OPRD1 P41143 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MC5R P33032 1/20 0.30
MC3R P41968 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL275274 0.80 MAPT (0.34) MEN1KMT2APOLBMAPTSIGMAR1
SCHEMBL1376734 0.77 AOC3 (0.36) ALDH1A1MAPTSIGMAR1
SCHEMBL274872 0.72 SMN1; SMN2 (0.33) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2595023 0.71 LMNA (0.46) MEN1KMT2AALDH1A1TRPM8MAPT
SCHEMBL275273 0.70 DRD2 (0.48) POLBOPRD1SIGMAR1
Hydrochloric Acid SCHEMBL2455720 0.69 MEN1 (0.45) MEN1KMT2AALDH1A1TRPM8MAPT
Bromide SCHEMBL6625831 0.69 MEN1 (0.45) MEN1KMT2AALDH1A1TRPM8MAPT
SCHEMBL276375 0.68 SIGMAR1 (0.34) MEN1KMT2AOPRD1KDM4ESIGMAR1
Hydrochloric Acid SCHEMBL27845404 0.68 MEN1 (0.44) MEN1KMT2AALDH1A1TRPM8MAPT
SCHEMBL274458 0.68 DRD2 (0.35) MEN1KMT2AALDH1A1MAPTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4819280-B2 2011-11-24 JP claimed
JP-2004500426-A 2004-01-08 JP claimed
EP-1274411-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE Axon Biochemicals B.V. (NL) 2003-01-15 EP claimed
WO-2001078713-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE AXON BIOCHEMICALS B.V. (NL) 2001-10-25 WO claimed
EP-1274411-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE Axon Biochemicals B.V. (NL) 2003-01-15 EP disclosed
WO-2001078713-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE AXON BIOCHEMICALS B.V. (NL) 2001-10-25 WO disclosed