SCHEMBL13656199

SCHEMBL13656199

CC(C)c1ccc2c(c1)NCCC2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
F2 P00734 1/20 0.35
F12 P00748 1/20 0.35
KIF11 P52732 1/20 0.34
HPGD P15428 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NISCH Q9Y2I1 1/20 0.32
LMNA P02545 2/20 0.31
NOTUM Q6P988 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL10092697 0.83 CHRNB2 (0.40) CHRNB2CHRNA4KIF11HPGDGAA
SCHEMBL24316223 0.82 AR (0.43) ARCHRNB2CHRNA4GAASLC6A2
SCHEMBL13920391 0.78 AR (0.43) ARKIF11HPGDNISCHALDH1A1
SCHEMBL13683731 0.78 AR (0.41) ARF2F12KIF11GAA
SCHEMBL18886131 0.76 AR (0.40) ARF12
SCHEMBL24090522 0.76 AR (0.40) ARF12
SCHEMBL13059131 0.76 AR (0.40) ARF12
SCHEMBL24648912 0.75 AR (0.40) ARCHRNB2CHRNA4F2F12
SCHEMBL27010602 0.72 AR (0.38) ARCHRNB2CHRNA4LMNAALDH1A1
SCHEMBL15341645 0.71 GAA (0.44) CHRNB2CHRNA4KIF11HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed