SCHEMBL14216751

SCHEMBL14216751

Cc1ccc(C2(CCCN)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAOB P27338 5/20 0.39
MAOA P21397 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
OPRM1 P35372 1/20 0.36
KIF11 P52732 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 2/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL14347814 0.88 LMNA (0.55) LMNAMAOBMAOATAAR1CNR1
SCHEMBL5737015 0.81 TAAR1 (0.39) LMNAMAOBMAOATAAR1L3MBTL1
SCHEMBL8351707 0.81 LMNA (0.52) LMNASLC6A3SLC6A4DPP4
SCHEMBL8355831 0.81 LMNA (0.52) LMNAMAOBMAOATAAR1CYP1A2
SCHEMBL8352672 0.79 MAOA (0.61) MAOBMAOATAAR1SLC6A3SLC6A4
SCHEMBL5737414 0.77 MAOA (0.36) MAOBMAOATAAR1SLC6A3SLC6A4
SCHEMBL2441363 0.75 L3MBTL1 (0.43) LMNACNR1CNR2OPRM1L3MBTL1
SCHEMBL14347818 0.73 OPRM1 (0.45) LMNAOPRM1L3MBTL1SLC6A3SLC6A4
SCHEMBL13799399 0.73 MAOA (0.59) MAOBMAOATAAR1OPRM1SLC6A3
SCHEMBL8352416 0.73 SLC6A4 (0.39) LMNAMAOBMAOAOPRM1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057575-A2 NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE DOV PHARMACEUTICAL, INC. (US) 2008-05-15 WO disclosed