SCHEMBL6787336

SCHEMBL6787336

COC(=O)C1=C(C)NC(=O)N(N(C=O)CCCN2CCC(c3ccccc3)(c3ccc(OC)cc3)CC2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.65
ADRA1D P25100 17/20 0.65
ADRA1B P35368 17/20 0.65
ADRA2A P08913 11/20 0.62
ADRA2B P18089 11/20 0.62
ADRA2C P18825 11/20 0.62
TDP1 Q9NUW8 3/20 0.57
ABCB1 P08183 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
CHRM5 P08912 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL6785290 0.96 ADRA1A (0.70) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6198006 0.93 ADRA1A (0.60) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6200436 0.89 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6782399 0.89 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6793226 0.87 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785634 0.85 ADRA1A (0.59) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6793160 0.84 ADRA1A (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL8592793 0.82 ADRA1A (0.64) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785443 0.82 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6785064 0.81 ADRA1A (0.54) 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 1 patent. 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