SCHEMBL11609345

SCHEMBL11609345

C[S+](C)c1ccc(C2CNCCc3cc(O)c(O)cc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 2/20 0.74
▸ DRD1 P21728 17/20 0.69
▸ DRD2 P14416 9/20 0.69
▸ KDM4E B2RXH2 5/20 0.69
▸ DRD5 P21918 5/20 0.69
▸ HPGD P15428 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ THPO P40225 2/20 0.69
▸ HIF1A Q16665 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ ADCY6 O43306 1/20 0.69
▸ ADCY3 O60266 1/20 0.69
▸ ADCY9 O60503 1/20 0.69
▸ ADCY8 P40145 1/20 0.69
▸ ADCY7 P51828 1/20 0.69
▸ ADCY2 Q08462 1/20 0.69
▸ ADCY1 Q08828 1/20 0.69

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
SCHEMBL8516949 0.85 ADCY5 (0.79) ADCY5DRD1DRD2KDM4EDRD5
Bromide SCHEMBL11716923 0.84 ADCY5 (0.97) ADCY5DRD1DRD2KDM4EDRD5
Bromide SCHEMBL11575582 0.83 DRD1 (0.79) ADCY5DRD1DRD2KDM4EDRD5
Hydrochloric Acid SCHEMBL11104888 0.83 DRD1 (0.79) ADCY5DRD1DRD2KDM4EDRD5
Skf-38393 SCHEMBL469578 0.82 DRD1 (1.00) ADCY5DRD1DRD2KDM4EDRD5
(R)-Skf-38393 SCHEMBL7941051 0.82 DRD1 (1.00) ADCY5DRD1DRD2KDM4EDRD5
Skf-38393 SCHEMBL29389401 0.82 DRD1 (1.00) ADCY5DRD1DRD2KDM4EDRD5
SCHEMBL11606787 0.82 ADCY5 (0.74) ADCY5DRD1DRD2KDM4EDRD5
Bromide SCHEMBL11539213 0.81 DRD1 (0.75) ADCY5DRD1DRD2KDM4EDRD5
Skf-38393 SCHEMBL3425787 0.81 DRD1 (1.00) ADCY5DRD1DRD2KDM4EDRD5

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 claimed
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