SCHEMBL2171476

SCHEMBL2171476

CCC(N)Cc1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
SLC6A4 P31645 3/20 0.46
CYP19A1 P11511 1/20 0.46
EPHX1 P07099 1/20 0.43
PNMT P11086 1/20 0.43
ADRB2 P07550 4/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL951869 0.82 PNMT (0.62) MAOAMAOBSLC6A4CYP19A1PNMT
SCHEMBL11056699 0.82 PNMT (0.62) MAOAMAOBSLC6A4CYP19A1PNMT
SCHEMBL11059954 0.82 PNMT (0.62) MAOAMAOBSLC6A4CYP19A1PNMT
SCHEMBL30537984 0.81 EPHX1 (0.48) MAOAMAOBSLC6A4CYP19A1EPHX1
SCHEMBL16836836 0.81 EPHX1 (0.48) MAOAMAOBSLC6A4CYP19A1EPHX1
SCHEMBL56025 0.81 EPHX1 (0.48) MAOAMAOBSLC6A4CYP19A1EPHX1
SCHEMBL56469 0.81 EPHX1 (0.48) MAOAMAOBSLC6A4CYP19A1EPHX1
SCHEMBL16836900 0.80 TACR1 (0.45) MAOAMAOBCYP19A1EPHX1PNMT
SCHEMBL10209865 0.80 MAOA (0.43) MAOAMAOBCYP19A1EPHX1PNMT
SCHEMBL16836898 0.80 TACR1 (0.45) MAOAMAOBCYP19A1EPHX1PNMT

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
EP-2348079-B1 Ink, ink-jet recording method, and ink cartridge CANON KK (JP) 2014-02-26 EP disclosed
US-8474964-B2 Ink, ink-jet recording method, and ink cartridge CANON KABUSHIKI KAISHA (JP) 2013-07-02 US disclosed
EP-2348079-A1 Ink, ink-jet recording method, and ink cartridge Canon Kabushiki Kaisha (JP) 2011-07-27 EP disclosed
US-20110175964-A1 INK, INK-JET RECORDING METHOD, AND INK CARTRIDGE CANON KABUSHIKI KAISHA (JP) 2011-07-21 US disclosed