SCHEMBL6170971

SCHEMBL6170971

CCc1nn2c(-c3c(OC)cccc3OC)ccc(CN(C)C)c2c1N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
CRHR1 P34998 12/20 0.41
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35

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
SCHEMBL6170967 0.75 CRHR1 (0.48) CRHR1
SCHEMBL5343889 0.62 SLC6A4 (0.50) NOS1NOS3SLC6A2SLC6A4SLC6A3
SCHEMBL5340091 0.59 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL6873406 0.59 CRHR1 (0.54) CRHR1MAPTTHRB
SCHEMBL735118 0.59 SLC6A4 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL5675723 0.58 MEN1 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL9172783 0.58 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL194469 0.58 NOS1 (1.00) NOS1NOS3
SCHEMBL5829892 0.58 IDO1 (0.47) MAPT
SCHEMBL27494431 0.57 GAA (0.67) NOS1NOS3MAPTSLC6A2SLC6A4

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
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP disclosed