SCHEMBL13618642

SCHEMBL13618642

CC1(C)CNc2ccccc2OC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 1/20 0.38
DAO P14920 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
THPO P40225 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
HTR5A P47898 1/20 0.33
PARP1 P09874 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
SCHEMBL19744430 0.82 GAA (0.36) GAANPSR1ALOX5ADRA2AADRA2B
SCHEMBL20808105 0.80 GAA (0.34) GAANPSR1ALOX5DAOADRA2A
SCHEMBL22176798 0.80 GAA (0.34) GAANPSR1ALOX5ADRA2AADRA2B
SCHEMBL19744815 0.78 GAA (0.38) GAANPSR1ALOX5ADRA2AADRA2B
SCHEMBL2627040 0.77 ALOX5 (0.40) GAAALOX5DAOMAPTBRD4
SCHEMBL3794975 0.75 ABCG2 (0.50) ABCG2
SCHEMBL21229055 0.75 MEN1 (0.42) GAAALOX5CYP1A2MAPTBRD4
SCHEMBL22018408 0.74 GAA (0.33) GAANPSR1ALOX5ADRA2AADRA2B
SCHEMBL16558283 0.73 GAA (0.40) GAANPSR1ALOX5ADRA2AADRA2B
SCHEMBL30303079 0.73 GAA (0.40) GAANPSR1ALOX5MAPTBRD4

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
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
WO-2019195278-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2019-10-10 WO disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed