SCHEMBL6787045

SCHEMBL6787045

COC1=NC(C)=C(C(=O)OCc2ccccc2)C(c2ccc3c(c2)OCO3)N1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MGLL Q99685 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 1/20 0.40
FAAH O00519 1/20 0.40
CDC25B P30305 1/20 0.40
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL6337588 0.85 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7978679 0.78 PDE1C (0.39) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6216267 0.78 PDE1C (0.38) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6199441 0.77 MEN1 (0.44) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6641617 0.76 CACNA1F (0.41) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6194063 0.74 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CMEN1
SCHEMBL6787375 0.73 PDE1C (0.37) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3988068 0.73 MGLL (0.41) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4294571 0.72 MGLL (0.42) CACNA1FCACNA1DCACNA1SCACNA1CMGLL
SCHEMBL6195392 0.72 CACNA1F (0.40) HTTCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6248747-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA WITH ANTAGONISTS SELECTIVE FOR CLONED HUMAN ALPHA-1C RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-19 US disclosed
US-5942517-A ANTAGONIST OF ALPHA(1C) RECEPTORS; TREATMENT OF BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-08-24 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 WO disclosed