SCHEMBL6786591

SCHEMBL6786591

COC(=O)C1=C(C)NC(=S)N(N(C=O)CCCN2CCC(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 17/20 0.60
ADRA1D P25100 15/20 0.60
ADRA1B P35368 15/20 0.60
ADRA2A P08913 9/20 0.60
ADRA2B P18089 9/20 0.60
ADRA2C P18825 9/20 0.60
TDP1 Q9NUW8 3/20 0.47
SIGMAR1 Q99720 2/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
ABCB1 P08183 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6200436 0.90 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785443 0.88 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785064 0.87 ADRA1A (0.54) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6786014 0.86 ADRA1A (0.59) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6198006 0.86 ADRA1A (0.60) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785290 0.83 ADRA1A (0.70) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6782399 0.81 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7955897 0.80 ADRA1A (0.68) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6718413 0.79 ADRA1D (0.68) ADRA1AADRA1DADRA1B
SCHEMBL6786820 0.79 ADRA1D (0.46) ADRA1AADRA1DADRA1BADRA2AADRA2B

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 7 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
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 WO disclosed