SCHEMBL6021772

SCHEMBL6021772

CCCC1(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
TAAR1 Q96RJ0 1/20 0.56
OPRM1 P35372 5/20 0.47
OPRL1 P41146 5/20 0.47
DPP4 P27487 2/20 0.47
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
OPRK1 P41145 1/20 0.41
KDM1A O60341 2/20 0.40
ICMT O60725 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
SCHEMBL10607505 0.91 DPP4 (0.53) MAOAMAOBTAAR1OPRM1OPRL1
SCHEMBL2089640 0.90 SLC6A4 (0.59) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL27874183 0.87 OPRM1 (0.53) MAOAMAOBTAAR1OPRM1OPRL1
SCHEMBL21770897 0.86 TACR1 (0.53) MAOAMAOBTAAR1OPRM1SLC6A4
SCHEMBL13265659 0.86 ICMT (0.54) MAOAMAOBTAAR1OPRM1DPP4
SCHEMBL21273774 0.85 OPRM1 (0.49) MAOAMAOBTAAR1OPRM1SLC6A4
SCHEMBL15955086 0.81 MAOA (0.60) MAOAMAOBTAAR1OPRM1OPRL1
SCHEMBL29201208 0.80 SLC6A4 (0.42) MAOAMAOBTAAR1DPP4SLC6A4
SCHEMBL10608925 0.79 OPRM1 (0.50) MAOAMAOBTAAR1OPRM1OPRL1
SCHEMBL14415547 0.79 SLC6A2 (0.56) MAOAMAOBTAAR1OPRM1SLC6A4

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-1686995-A1 USE OF CATHEPSIN K INHIBITORS FOR TREATING OF SEVERE BONE LOSS DISEASES Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 WO disclosed