SCHEMBL6239011

SCHEMBL6239011

NC[C@@H]1C[C@H](OCc2ccc(Cl)cc2)CN1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SLC6A4 P31645 1/20 0.38
MAOB P27338 3/20 0.37
NOS3 P29474 4/20 0.36
NOS1 P29475 4/20 0.36
NOS2 P35228 4/20 0.36
REN P00797 2/20 0.36

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
SCHEMBL6236177 1.00 IDO1 (0.40) IDO1AGXTCARM1PRMT6SLC6A4
SCHEMBL6238619 0.85 DPP4 (0.44) NOS3NOS1NOS2
SCHEMBL24928599 0.85 DPP4 (0.44) NOS3NOS1NOS2
SCHEMBL16761713 0.76 IDO1 (0.46) IDO1AGXTCARM1PRMT6SLC6A4
SCHEMBL16762033 0.76 IDO1 (0.46) IDO1AGXTCARM1PRMT6SLC6A4
SCHEMBL16761712 0.76 IDO1 (0.46) IDO1AGXTCARM1PRMT6SLC6A4
SCHEMBL6239006 0.76 EPHX2 (0.38) IDO1AGXTCARM1PRMT6SLC6A4
SCHEMBL6236176 0.76 EPHX2 (0.38) IDO1AGXTCARM1PRMT6SLC6A4
SCHEMBL8177812 0.74 GRIK1 (0.44)
SCHEMBL3182056 0.74 GRIK1 (0.44)

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-2005011697-A2 SULFONAMIDE DERIVATIVES WITH ACTIVITY ON PROTEIN KINASE A AND B ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed