SCHEMBL9535666

SCHEMBL9535666

Cc1ccc2sc(CN(Cc3ccccc3)C(=O)OCc3ccccc3)c3c2c1CCN(C)C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
ADORA1 P30542 2/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9534814 0.82 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536282 0.81 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535094 0.73 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533864 0.72 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27364470 0.68 CCR6 (0.55) L3MBTL1ALDH1A1MAPTHPGDKMT2A
SCHEMBL9533677 0.66 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
Carbamic Acid SCHEMBL29254315 0.65 CCR6 (0.51) L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL11179486 0.64 POLB (0.45) L3MBTL1TMEM97SIGMAR1CHRM5CHRM1
SCHEMBL8900957 0.64 CCR6 (0.51) L3MBTL1ALDH1A1HSD17B10POLB
SCHEMBL13687190 0.63 LMNA (0.62) L3MBTL1PTGDR2ALDH1A1ALOX15HSD17B10

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
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed