SCHEMBL8563661

SCHEMBL8563661

COCC(=O)N[C@H]1CNc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.63
MAPK1 P28482 7/20 0.50
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
HDAC8 Q9BY41 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM7 Q14831 1/20 0.40

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
SCHEMBL8563662 1.00 EPHX2 (0.63) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8563658 1.00 EPHX2 (0.63) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8569808 0.85 EPHX2 (0.64) EPHX2MAPK1MTNR1AMTNR1BMAPT
SCHEMBL8569806 0.85 EPHX2 (0.64) EPHX2MAPK1MTNR1AMTNR1BMAPT
SCHEMBL8569805 0.85 EPHX2 (0.64) EPHX2MAPK1MTNR1AMTNR1BMAPT
SCHEMBL8561735 0.83 EPHX2 (0.78) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8561739 0.83 EPHX2 (0.78) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL8561743 0.83 EPHX2 (0.78) EPHX2MAPK1MTNR1AMTNR1BHDAC8
SCHEMBL22787538 0.83 MAPT (0.58) MTNR1AMTNR1BNPSR1MAPTMEN1
SCHEMBL4830429 0.80 EPHX2 (0.68) EPHX2MAPK1MTNR1AMTNR1BHDAC8

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-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed