SCHEMBL7954093

SCHEMBL7954093

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.73
ADRA1D P25100 15/20 0.64
ADRA1B P35368 15/20 0.64
ADRA2A P08913 7/20 0.60
ADRA2B P18089 7/20 0.60
ADRA2C P18825 7/20 0.60
TDP1 Q9NUW8 3/20 0.55
ABCB1 P08183 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
DRD2 P14416 1/20 0.51

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
SCHEMBL7236022 0.96 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7241726 0.95 ADRA1A (0.73) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7237695 0.94 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7245402 0.93 ADRA1A (0.63) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7952573 0.92 ADRA1A (0.74) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7236378 0.92 ADRA1A (0.63) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7251173 0.90 ADRA1A (0.61) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7236493 0.90 ADRA1A (0.59) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7242493 0.89 ADRA1A (0.60) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7959795 0.88 ADRA1A (0.57) 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 2 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