SCHEMBL1461908

SCHEMBL1461908

Brc1cccc(NCCC2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.45
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
JAK1 P23458 1/20 0.40
OPRL1 P41146 6/20 0.39
KCNH3 Q9ULD8 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CDK9 P50750 1/20 0.34

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
SCHEMBL1192283 0.85 KCNH3 (0.48) CCNT1KCNH3SLC6A2SLC6A4SLC6A3
SCHEMBL1191759 0.83 KCNH3 (0.37) CCNT1KCNH3SLC6A2SLC6A4SLC6A3
SCHEMBL1461912 0.78 CCNT1 (0.44) CCNT1KDM1AMAOAMAOBJAK1
SCHEMBL29265648 0.74 CYP1A2 (0.52) CHRM1PIM1
SCHEMBL7010205 0.73 SLC6A2 (0.44) CCNT1SLC6A2SLC6A4SLC6A3PIM1
SCHEMBL3114904 0.72 POLB (0.54) PIM1
SCHEMBL19426727 0.71 APP (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL25298737 0.71 MEN1 (0.46) CCNT1SLC6A2SLC6A4SLC6A3PIM1
SCHEMBL5352788 0.70 KDM4C (0.44)
SCHEMBL1463733 0.70 ALDH1A1 (0.51) CCNT1SLC6A2SLC6A4SLC6A3CDK9

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-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed