SCHEMBL8100989

SCHEMBL8100989

Cc1csc(OCCN)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DAO P14920 1/20 0.32
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
LTA4H P09960 1/20 0.31
PLA2G2A P14555 1/20 0.31
IKBKB O14920 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL4970959 0.81 ELANE (0.35) KDM4EDAOLTA4H
SCHEMBL10461427 0.79 DAO (0.32) KDM4EDAO
SCHEMBL8104941 0.79 TAAR1 (0.32) TAAR1KDM4ELTA4H
SCHEMBL29264547 0.78 KDM4E (0.33) KDM4EDAO
SCHEMBL8607112 0.76 SCN4A (0.43) DAO
SCHEMBL5373796 0.76 KDM4E (0.31) KDM4E
SCHEMBL10637851 0.73 L3MBTL1 (0.51) DAO
Bromide SCHEMBL28753001 0.73 MEN1 (0.33) KDM4E
Hydrochloric Acid SCHEMBL7879614 0.72 DAO (0.31) DAO
SCHEMBL386011 0.69 MAOA (0.37) KDM4EDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874805-B1 PHENYLACETAMIDE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-09-20 EP disclosed
US-5973201-A ANALGESICS; ANTIINFLAMMATORY AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-10-26 US disclosed
EP-0874805-A1 PHENYLACETAMIDE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 1998-11-04 EP disclosed
WO-1997021668-A1 PHENYLACETAMIDE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-06-19 WO disclosed