SCHEMBL20171998

SCHEMBL20171998

CSc1ccc(-c2c(C)ncnc2C)c2c1OCO2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.32

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
SCHEMBL19390605 0.78 ESR1 (0.35) DRD1
SCHEMBL15698817 0.76 DRD1 (0.36) DRD1
SCHEMBL17174370 0.72 DRD1 (0.34) DRD1
SCHEMBL4482758 0.66 NPC1 (0.32)
SCHEMBL16079381 0.62
SCHEMBL1145215 0.59 MAOB (0.44)
SCHEMBL1536350 0.58 ACHE (0.36)
SCHEMBL24393382 0.57 NQO2 (0.41)
SCHEMBL12926209 0.57 ESR1 (0.36)
SCHEMBL19390819 0.57 DRD1 (0.46) DRD1

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-3323821-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc (US) 2018-05-23 EP disclosed