SCHEMBL20171944

SCHEMBL20171944

CCOc1c(Oc2nccc3occc23)ccc(Br)c1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.49
▸ DRD1 P21728 18/20 0.46
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8373114 0.75 DRD1 (0.52) TRPA1DRD1HPGDSMN1; SMN2
SCHEMBL15688588 0.72 TRPA1 (0.51) TRPA1DRD1
SCHEMBL15688267 0.72 DRD1 (0.63) TRPA1DRD1
SCHEMBL19371701 0.69 DRD1 (0.60) TRPA1DRD1
SCHEMBL15688563 0.69 DRD1 (0.59) TRPA1DRD1
SCHEMBL29616683 0.68 DRD1 (0.49) TRPA1DRD1
SCHEMBL15688472 0.68 DRD1 (0.49) TRPA1DRD1
SCHEMBL15688482 0.67 DRD1 (0.55) TRPA1DRD1
SCHEMBL23969546 0.67 DRD1 (0.48) TRPA1DRD1
SCHEMBL29616769 0.67 DRD1 (0.48) TRPA1DRD1

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
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