SCHEMBL4583123

SCHEMBL4583123

Cc1ccc(-c2c(C)n[nH]c(=O)c2-c2cc(F)c(F)cc2F)nc1C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 17/20 0.35
ALPL P05186 2/20 0.34

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
SCHEMBL4582874 0.77 TYMP (0.38) DRD1ALPL
SCHEMBL2355006 0.76 KCNQ3 (0.42) DRD1
SCHEMBL4583147 0.73 DRD1 (0.38) DRD1
SCHEMBL14587758 0.67 ALPL (0.33) ALPL
SCHEMBL2351989 0.65 PSD (0.40) DRD1
SCHEMBL2347927 0.64 PSD (0.39) DRD1ALPL
SCHEMBL25999784 0.62 NOS3 (0.48)
SCHEMBL2354063 0.61 MAPT (0.41) DRD1
SCHEMBL3071714 0.61 NOS3 (0.55)
SCHEMBL2350537 0.61 PSD (0.36) 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-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed