SCHEMBL6981272

SCHEMBL6981272

NCC1CCN(C(=O)c2ccccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
EPHX2 P34913 3/20 0.57
EPHX1 P07099 2/20 0.56
NAMPT P43490 1/20 0.56
RBP4 P02753 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
GAA P10253 3/20 0.50
RIPK1 Q13546 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PRKCQ Q04759 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
PDE10A Q9Y233 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL12120400 0.89 L3MBTL1 (0.63) L3MBTL1EPHX2EPHX1NAMPTRBP4
SCHEMBL2224365 0.87 L3MBTL1 (0.69) L3MBTL1EPHX2EPHX1NAMPTRBP4
SCHEMBL22972208 0.82 L3MBTL1 (0.75) L3MBTL1EPHX2EPHX1NAMPTRBP4
SCHEMBL7943306 0.81 L3MBTL1 (1.00) L3MBTL1EPHX2NAMPTRBP4CHRNB2
SCHEMBL13744784 0.81 L3MBTL1 (0.73) L3MBTL1EPHX2EPHX1NAMPTRBP4
SCHEMBL21198116 0.80 CHRM2 (0.51) GAAALDH1A1CHRM2CYP2D6CYP2C9
SCHEMBL28467307 0.78 L3MBTL1 (0.69) L3MBTL1EPHX2EPHX1NAMPTRBP4
SCHEMBL14275543 0.78 L3MBTL1 (0.64) L3MBTL1EPHX2EPHX1NAMPTRBP4
SCHEMBL13629837 0.78 L3MBTL1 (0.69) L3MBTL1EPHX2EPHX1NAMPTRBP4
SCHEMBL8151524 0.78 NAMPT (0.62) L3MBTL1EPHX2EPHX1NAMPTRBP4

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
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
CN-1071755-C Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 2001-09-26 CN disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
CN-1190967-A Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 1998-08-19 CN disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed