SCHEMBL10748842

SCHEMBL10748842

CS(=O)(=O)c1ccc(C2CNCCc3cc(S(C)(=O)=O)c(O)cc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 2/20 0.59
▸ DRD1 P21728 16/20 0.55
▸ DRD2 P14416 9/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ DRD5 P21918 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ THPO P40225 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ ADCY6 O43306 1/20 0.55
▸ ADCY3 O60266 1/20 0.55
▸ ADCY9 O60503 1/20 0.55
▸ ADCY8 P40145 1/20 0.55
▸ ADCY7 P51828 1/20 0.55
▸ ADCY2 Q08462 1/20 0.55
▸ ADCY1 Q08828 1/20 0.55

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
Bromide SCHEMBL10748869 0.99 ADCY5 (0.58) ADCY5DRD1DRD2KDM4EDRD5
SCHEMBL10745927 0.93 ADCY5 (0.57) ADCY5DRD1DRD2KDM4EDRD5
Bromide SCHEMBL10748725 0.92 ADCY5 (0.56) ADCY5DRD1DRD2KDM4EDRD5
SCHEMBL10745268 0.92 ADCY5 (0.60) ADCY5DRD1DRD2KDM4EDRD5
Bromide SCHEMBL10745079 0.91 ADCY5 (0.59) ADCY5DRD1DRD2KDM4EDRD5
Bromide SCHEMBL11606204 0.91 ADCY5 (0.69) ADCY5DRD1DRD2KDM4EDRD5
SCHEMBL10743786 0.90 ADCY5 (0.54) ADCY5DRD1DRD2KDM4EDRD5
SCHEMBL10747040 0.90 ADCY5 (0.54) ADCY5DRD1DRD2KDM4EDRD5
SCHEMBL10747651 0.90 ADCY5 (0.58) ADCY5DRD1DRD2KDM4EDRD5
SCHEMBL10743677 0.89 DRD1 (0.70) 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
EP-0244088-A2 1-Phenyl-3-benzazepine compounds and medicaments containing these compounds for treating gastrointestinal motility disorders SMITHKLINE BEECHAM CORPORATION (US) 1987-11-04 — — EP disclosed
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