SCHEMBL11240147

SCHEMBL11240147

CN1CCCC1CNC(=O)NCC1CCCN1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNA5 P30532 2/20 0.42
KAT2B Q92831 1/20 0.40
HTT P42858 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
POLR1A O95602 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL8049484 0.93 MTNR1A (0.47) OPRM1ALDH1A1L3MBTL1CHRNB2CHRNA7
SCHEMBL29358366 0.87 CHRNB2 (0.44) OPRM1ALDH1A1L3MBTL1CHRNB2CHRNA7
SCHEMBL12506716 0.87 FAP (0.44) OPRM1ALDH1A1L3MBTL1CHRNB2CHRNA7
SCHEMBL8320704 0.87 FAP (0.44) OPRM1ALDH1A1L3MBTL1CHRNB2CHRNA7
SCHEMBL8050286 0.84 MTNR1A (0.46) ALDH1A1L3MBTL1CHRNB2CHRNA7CHRNA4
SCHEMBL21661030 0.84 MTNR1A (0.46) ALDH1A1L3MBTL1CHRNB2CHRNA7CHRNA4
SCHEMBL28645032 0.84 DRD2 (0.43) ALDH1A1CHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL15934293 0.84 MTNR1A (0.46) ALDH1A1L3MBTL1CHRNB2CHRNA7CHRNA4
SCHEMBL23866583 0.82 DPP4 (0.48) OPRM1ALDH1A1L3MBTL1CHRNB2CHRNA7
SCHEMBL16501770 0.82 PREP (0.48) OPRM1ALDH1A1L3MBTL1CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4364867-A URINARY SYSTEM DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE FRANCE (FR) 1982-12-21 US disclosed
US-4263316-A ANTISPASMODIC, FOR URINARY DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE DE FRANCE (FR) 1981-04-21 US disclosed