SCHEMBL7542834

SCHEMBL7542834

CCCCCCc1n[c]c2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.38
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
CETP P11597 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
SCHEMBL7545123 0.98 XDH (0.36) XDHKCNH2ALDH1A1CNR1CNR2
SCHEMBL7492334 0.94 XDH (0.36) XDHALDH1A1
SCHEMBL7491917 0.88 ADORA3 (0.31) ALDH1A1
SCHEMBL4566029 0.75 XDH (0.41) XDHKCNH2ALDH1A1PKMHPGD
SCHEMBL7488220 0.73 ALDH1A1 (0.34) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL3260370 0.73 XDH (0.39) XDHKCNH2ALDH1A1GPR84
SCHEMBL7490703 0.72 PI4KA (0.32) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL7489509 0.71 GPR84 (0.33) XDHKCNH2ALDH1A1PKMHPGD
SCHEMBL4566028 0.70 XDH (0.45) XDHALDH1A1
SCHEMBL3258117 0.69 XDH (0.41) XDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed