SCHEMBL8336462

SCHEMBL8336462

CNC(=O)NC(=O)CN1CCCC(N=S(=O)=O)C1c1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ FPR1 P21462 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ TACR1 P25103 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PROKR1 Q8TCW9 1/20 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
SCHEMBL8338913 0.94 SMN1; SMN2 (0.36) OPRK1OPRM1FPR1FPR2SMN1; SMN2
SCHEMBL8336185 0.92 TDP1 (0.38) OPRK1OPRM1FPR1FPR2TACR1
SCHEMBL8340133 0.85 TDP1 (0.37) OPRK1OPRM1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8339200 0.76 DRD3 (0.36) KDM4ESMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL8335797 0.71 OPRK1 (0.41) OPRK1OPRM1KDM4EHSD17B10ALDH1A1
SCHEMBL8335504 0.68 TDP1 (0.35) KDM4ESMN1; SMN2ALDH1A1CYP2C19PKM
SCHEMBL8339176 0.68 OPRM1 (0.39) OPRK1OPRM1KDM4ESMN1; SMN2HSD17B10
SCHEMBL28836843 0.65 OPRK1 (0.55) OPRK1OPRM1KDM4EHSD17B10ALDH1A1
SCHEMBL8339931 0.61 TDP1 (0.48) KDM4ESMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL11509496 0.61 OPRK1 (0.62) OPRK1OPRM1KDM4EHSD17B10ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977177-A Substituted benzenesulfonylureas and-thioureas, processes for their preparation and use of pharmaceutical preparations based on these compounds, and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-02 — — US disclosed
US-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
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