SCHEMBL22742883

SCHEMBL22742883

Cc1ccc2c(c1)N=C(N)[C@@H]1C[C@H]21

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 17/20 0.71
NOS3 P29474 15/20 0.71
NOS2 P35228 15/20 0.71
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 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
SCHEMBL22742306 0.86 NOS1 (0.88) NOS1NOS3NOS2
SCHEMBL6645211 0.83 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL22743544 0.81 NOS1 (0.53) NOS1NOS3NOS2
SCHEMBL13826592 0.72 NOS3 (0.41) NOS1NOS3NOS2
SCHEMBL6643393 0.70 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL22717048 0.69 NOS1 (0.40) NOS1NOS3NOS2
SCHEMBL14100576 0.69 NOS3 (0.62) NOS1NOS3NOS2HTR2CCHRNB2
SCHEMBL22716960 0.69 NOS1 (0.40) NOS1NOS3NOS2
SCHEMBL22742869 0.69 NOS3 (0.50) NOS1NOS3NOS2HTR2AHTR2C
SCHEMBL20708296 0.68 NOS3 (0.53) NOS1NOS3NOS2HTR2AHTR2C

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-2020243178-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2020-12-03 WO disclosed