SCHEMBL3440327

SCHEMBL3440327

CCNCc1ccc(CCN(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
TAAR1 Q96RJ0 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.41
CHRNA7 P36544 1/20 0.39
LMNA P02545 2/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL25701678 0.85 HTR2A (0.41) HRH3TAAR1L3MBTL1LMNAKCNH2
SCHEMBL3059072 0.81 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2
SCHEMBL9180552 0.80 LMNA (0.52) HRH3L3MBTL1LMNA
SCHEMBL18762839 0.80 HRH3 (0.84) HRH3TAAR1CHRNA7KCNH2SIGMAR1
SCHEMBL23134289 0.79 HRH3 (0.54) HRH3TAAR1LMNASIGMAR1
SCHEMBL3440215 0.79 HRH3 (0.61) HRH3TAAR1CHRNA7KCNH2
SCHEMBL26408111 0.79 SIGMAR1 (0.40) HRH3TAAR1L3MBTL1LMNAKCNH2
SCHEMBL25701595 0.77 SIGMAR1 (0.54) HRH3SIGMAR1
SCHEMBL3057063 0.76 HRH3 (0.70) HRH3TAAR1CHRNA7KCNH2SIGMAR1
SCHEMBL15242107 0.76 HRH3 (0.58) HRH3TAAR1CHRNA7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed