SCHEMBL8561825

SCHEMBL8561825

CCNC(=O)[C@@H]1CNc2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
BCHE P06276 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 1/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.36
GLA P06280 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL8561817 1.00 HPGD (0.42) HPGDGAAMAPTBCHEMTNR1A
SCHEMBL8561821 1.00 HPGD (0.42) HPGDGAAMAPTBCHEMTNR1A
SCHEMBL8565239 0.84 HSD17B10 (0.38) HPGDGAAMAPTMTNR1AMTNR1B
SCHEMBL8562883 0.84 HSD17B10 (0.38) HPGDGAAMAPTMTNR1AMTNR1B
SCHEMBL8562879 0.84 HSD17B10 (0.38) HPGDGAAMAPTMTNR1AMTNR1B
SCHEMBL8566742 0.83 ALDH1A1 (0.44) HPGDGAABCHEHSD17B10KDM4E
SCHEMBL2578087 0.79 HSD17B10 (0.38) HPGDGAAMAPTHSD17B10KDM4E
SCHEMBL8571952 0.79 HSD17B10 (0.38) HPGDGAAMAPTHSD17B10KDM4E
SCHEMBL8571954 0.79 HSD17B10 (0.38) HPGDGAAMAPTHSD17B10KDM4E
SCHEMBL8444707 0.78 HSD17B10 (0.44) MAPTBCHEMTNR1AMTNR1BHSD17B10

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