SCHEMBL6981825

SCHEMBL6981825

CCCN(CCCCc1ccc(Cl)cc1)CCCCN1CCCCC1=O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.48
SIGMAR1 Q99720 4/20 0.41
RAB9A P51151 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL6983534 0.81 MAPT (0.44) L3MBTL1
SCHEMBL10504904 0.80 KMT2A (0.48) KCNH2RAB9AHRH3L3MBTL1ADRA1A
SCHEMBL4875539 0.79 ADAMTS5 (0.40) RAB9AL3MBTL1ADRA1AADRA1B
SCHEMBL4865427 0.78 ADAMTS5 (0.39) SIGMAR1RAB9AHRH3L3MBTL1ADRA1A
SCHEMBL6986641 0.74 EPHX2 (0.38) SIGMAR1L3MBTL1
SCHEMBL4875116 0.73 ADAMTS5 (0.43) KCNH2SIGMAR1HRH3L3MBTL1
SCHEMBL11131212 0.72 KCNH2 (0.84) KCNH2
SCHEMBL3733154 0.71 ALOX5 (0.45) RAB9AL3MBTL1CHRM1ADRA1AADRA1B
SCHEMBL7222562 0.70 ADRA1B (0.41) RAB9AL3MBTL1CHRM1ADRA1AADRA1B
SCHEMBL24072918 0.70 ALOX5 (0.47) RAB9AL3MBTL1ADRA1AADRA1B

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
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed