SCHEMBL7978679

SCHEMBL7978679

COCC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)c(F)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(OC)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
ATM Q13315 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6216267 0.94 PDE1C (0.38) PDE1CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6784838 0.90 ADRA1A (0.39) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6782160 0.87 ADRA1A (0.36) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6196841 0.83 MEN1 (0.35) ALDH1A1ADRA1DADRA1AADRA1BCACNA1F
SCHEMBL6646229 0.83 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6715274 0.82 BCL9 (0.35) ALDH1A1ADRA1DADRA1AADRA1BCACNA1F
SCHEMBL6715281 0.82 BCL9 (0.35) ALDH1A1ADRA1DADRA1AADRA1BCACNA1F
SCHEMBL6787375 0.82 PDE1C (0.37) PDE1CALDH1A1ATMCACNA1FCACNA1D
SCHEMBL6337588 0.81 CACNA1F (0.47) PDE1CALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7529769 0.81 MGLL (0.36) ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C

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
US-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed