SCHEMBL8305839

SCHEMBL8305839

N=C(Nc1ccc2c(c1)CC(NCc1cccc(Cl)c1)CC2)C1=CC=CCC1=S

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.38
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
ADRB3 P13945 6/20 0.37
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
ADRB1 P08588 2/20 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
SCHEMBL8306272 0.93 SMO (0.38) CARM1PRMT6
SCHEMBL8310235 0.90 GRIN2B (0.49) GRIN2BDRD3DRD2DRD4SLC6A5
SCHEMBL8306217 0.83 SMO (0.40)
SCHEMBL8309546 0.82 FYN (0.47) GRIN2BDRD2
SCHEMBL8309952 0.82 SMO (0.38) CARM1PRMT6
SCHEMBL8188026 0.79 GRIN2B (0.41) GRIN2BADRB3CARM1PRMT6SLC6A5
SCHEMBL8309596 0.78 SMO (0.38)
SCHEMBL8309243 0.78 MTTP (0.45)
SCHEMBL8306747 0.77 KDM4E (0.36) GRIN2B
SCHEMBL8309882 0.75 DRD2 (0.46) DRD3DRD2

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-0759027-B1 BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE ASTRA AB (SE) 1999-08-04 EP claimed