SCHEMBL9747281

SCHEMBL9747281

CCCCOc1ccc2ccc3ccc(OCCCC)nc3c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.51
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TLR8 Q9NR97 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 2/20 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
SCHEMBL10063304 0.86 MCHR1 (0.72) MCHR1GAAL3MBTL1TDP1CYP2C9
SCHEMBL16135206 0.83 MCHR1 (0.52) MCHR1GAAL3MBTL1TDP1CYP2C9
SCHEMBL994418 0.81 MCHR1 (0.73) MCHR1GAATLR8RAB9ANPC1
SCHEMBL16511927 0.80 MAPT (0.41) MCHR1RAB9ANPC1MAPTMAPK1
SCHEMBL2520179 0.78 LTA4H (0.50) MCHR1GAAL3MBTL1CYP2C9CYP2C19
SCHEMBL20696658 0.78 MCHR1 (0.54) MCHR1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4273729 0.78 RAB9A (0.56) MCHR1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL16809050 0.77 NPC1 (0.39) MCHR1GAAL3MBTL1CYP2C9CYP2C19
SCHEMBL4273391 0.77 MAPT (0.59) MCHR1GAAL3MBTL1TDP1CYP2C9
SCHEMBL27492328 0.76 KCNA3 (0.44) MCHR1CYP2C9CYP2C19CYP1A2CYP3A4

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
JP-4001194-A None JP disclosed
JP-H041194-A 1,10-PHENANTHROLINE DERIVATIVE T HASEGAWA CO LTD 1992-01-06 JP disclosed