SCHEMBL9533257

SCHEMBL9533257

CN1CCc2c(Cl)ccc3sc(CNC(=O)CCc4ccccc4)c(c23)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
ADRA1D P25100 2/20 0.57
ADRA1A P35348 2/20 0.57
ADRA1B P35368 2/20 0.57
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL9535094 0.90 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534287 0.86 ADORA1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533309 0.85 ADRA1D (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535620 0.85 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535724 0.85 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533864 0.84 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534888 0.84 PRMT5 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535559 0.79 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534502 0.79 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9534446 0.77 ADRA1D (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed