SCHEMBL11607029

SCHEMBL11607029

C[S+]([O-])c1cccc(C2CNCCc3cc(O)c(O)cc32)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 17/20 0.65
▸ DRD2 P14416 8/20 0.65
▸ DRD5 P21918 7/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ HPGD P15428 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ ADCY5 O95622 2/20 0.65
▸ ADCY6 O43306 1/20 0.65
▸ ADCY3 O60266 1/20 0.65
▸ ADCY9 O60503 1/20 0.65
▸ ADCY8 P40145 1/20 0.65
▸ ADCY7 P51828 1/20 0.65
▸ ADCY2 Q08462 1/20 0.65
▸ ADCY1 Q08828 1/20 0.65
▸ ADCY4 Q8NFM4 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ NFKB1 P19838 1/20 0.65
▸ THPO P40225 1/20 0.65
▸ HIF1A Q16665 1/20 0.65

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
SCHEMBL10749331 0.82 DRD1 (0.70) DRD1DRD2DRD5KDM4EHPGD
Bromide SCHEMBL10747191 0.81 DRD1 (0.71) DRD1DRD2DRD5KDM4EHPGD
Bromide SCHEMBL11543875 0.81 DRD1 (0.74) DRD1DRD2DRD5KDM4EHPGD
Bromide SCHEMBL11705620 0.80 DRD1 (0.78) DRD1DRD2DRD5KDM4EHPGD
Skf-38393 SCHEMBL469578 0.80 DRD1 (1.00) DRD1DRD2DRD5KDM4EHPGD
Skf-38393 SCHEMBL29389401 0.80 DRD1 (1.00) DRD1DRD2DRD5KDM4EHPGD
(R)-Skf-38393 SCHEMBL7941051 0.80 DRD1 (1.00) DRD1DRD2DRD5KDM4EHPGD
SCHEMBL11609345 0.79 ADCY5 (0.74) DRD1DRD2DRD5KDM4EHPGD
SCHEMBL11610950 0.79 DRD1 (0.68) DRD1DRD2DRD5KDM4EHPGD
(R)-Skf-38393 SCHEMBL7201396 0.79 DRD1 (1.00) DRD1DRD2DRD5KDM4EHPGD

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
US-4104379-A DOPAMINERGIC ACTIVITY SMITHKLINE CORPORATION (US) 1978-08-01 — — US disclosed
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