SCHEMBL8100728

SCHEMBL8100728

Cc1csc(OCCN)c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ADRA1D P25100 2/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL8536064 0.72 TAAR1 (0.38) TAAR1KDM4E
SCHEMBL9510309 0.69
SCHEMBL8100989 0.65 TAAR1 (0.34) TAAR1KDM4E
SCHEMBL9720433 0.64 ALDH1A1 (0.38)
SCHEMBL669124 0.64 ADRA2A (0.34)
SCHEMBL11702175 0.60 ADORA1 (0.31)
SCHEMBL1252056 0.60 BMP1 (0.36)
SCHEMBL7415579 0.60 HTR1B (0.62) KDM4E
SCHEMBL26125757 0.60 KMT2A (0.46) KDM4E
SCHEMBL9201467 0.60 SCN4A (0.55) TAAR1KDM4E

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