SCHEMBL8799093

SCHEMBL8799093

COc1ccc2cnc(=O)oc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.77
PDE3A Q14432 2/20 0.77
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA9 Q16790 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CA3 P07451 1/20 0.60
AKR1B1 P15121 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA14 Q9ULX7 1/20 0.60
MAOB P27338 3/20 0.50
GAA P10253 2/20 0.50
GLA P06280 2/20 0.50
SLC16A3 O15427 1/20 0.50

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
SCHEMBL8800213 0.87 PDE3B (1.00) PDE3BPDE3AALDH1A1HPGDCA12
SCHEMBL2474491 0.77 PDE3B (0.50) PDE3BPDE3AALDH1A1HPGDCA12
Herniarin SCHEMBL17629468 0.75 CA12 (1.00) ALDH1A1HPGDCA12CA1CA9
Herniarin SCHEMBL61221 0.75 CA12 (1.00) ALDH1A1HPGDCA12CA1CA9
Herniarin SCHEMBL29437733 0.75 CA12 (1.00) ALDH1A1HPGDCA12CA1CA9
Herniarin SCHEMBL17113785 0.74 CA12 (0.96) ALDH1A1HPGDCA12CA1CA9
SCHEMBL10926839 0.74 CA9 (0.56) PDE3BPDE3AALDH1A1HPGDCA12
SCHEMBL8787024 0.72 PDE3B (0.45) PDE3BPDE3AALDH1A1HPGDCA12
SCHEMBL29489333 0.72 ALDH1A1 (0.49) PDE3BPDE3AALDH1A1HPGDCA12
SCHEMBL4859239 0.72 ALDH1A1 (0.49) PDE3BPDE3AALDH1A1HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506539-B1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-05-02 EP disclosed
US-5386034-A Treatment of sleeping, psychological and nervous system disorders; anxiolytic agents, ovulation regulators ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5326775-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-07-05 US disclosed
US-5322843-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5322849-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-06-21 US disclosed
US-5300507-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1994-04-05 US disclosed
US-5240919-A Treating sleep disorders ADIR ET COMPAGNIE (FR) 1993-08-31 US disclosed
EP-0506539-A1 Heterocyclic alkylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-09-30 EP disclosed