SCHEMBL8335797

SCHEMBL8335797

CNC(=O)NC(=O)C(CN=S(=O)=O)N1CCCC1c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SCD5 Q86SK9 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KDM2B Q8NHM5 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
SCHEMBL8339176 0.97 OPRM1 (0.39) OPRK1OPRM1HSD17B10BACE1KDM4E
SCHEMBL8339013 0.79 CNR2 (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL8335763 0.78 TSHR (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8336462 0.71 OPRK1 (0.39) OPRK1OPRM1HSD17B10KDM4EALDH1A1
SCHEMBL8340115 0.69 CFB (0.34) —
SCHEMBL8338913 0.68 SMN1; SMN2 (0.36) OPRK1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL24775507 0.68 HSD17B10 (0.50) HSD17B10SCN3AKDM4EALDH1A1MEN1
SCHEMBL28836843 0.67 OPRK1 (0.55) OPRK1OPRM1HSD17B10KDM4EALDH1A1
SCHEMBL8339477 0.65 GPR88 (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL11512488 0.65 HSD17B10 (0.48) OPRK1OPRM1HSD17B10SCN3AALDH1A1

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
Send feedback