SCHEMBL7952602

SCHEMBL7952602

CCCC(=O)NC1=C(CC)NC(CC)=C(C(=O)O)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.39
CACNA1B Q00975 1/20 0.39
CYP1A2 P05177 1/20 0.39
GSK3B P49841 1/20 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
SCHEMBL7247302 0.84 ADORA3 (0.53) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7236641 0.83 ADRA1D (0.45) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7238016 0.82 ADORA3 (0.43) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7240146 0.77 ADORA3 (0.47) MAPTMEN1KMT2ALMNAADRA1D
SCHEMBL7238004 0.75 MAPT (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7240362 0.74 CACNA1B (0.40) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7236479 0.73 CACNA1B (0.41) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7239151 0.73 CACNA1B (0.41) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7242476 0.73 ADRA1A (0.43) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7238559 0.71 CACNA1B (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2

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-6310076-B1 TREATING BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, TREATING DISEASES MEDIATED BY ALPHA-1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-30 US disclosed
US-6211198-B1 BENIGN PROSTATE HYPERPLASIA; INTRAOCULAR PRESSURE; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed
US-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 WO disclosed