SCHEMBL30452001

SCHEMBL30452001

COc1ccc(Cl)c(CCO)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
SLC6A4 P31645 4/20 0.44
HTR2A P28223 3/20 0.44
KCNH2 Q12809 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA1A P35348 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTR1A P08908 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CTSD P07339 1/20 0.40
IDO1 P14902 1/20 0.40
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
POLB P06746 1/20 0.39
AOC3 Q16853 1/20 0.39

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
SCHEMBL24252802 1.00 CYP2D6 (0.51) CYP2D6SLC6A4HTR2AKCNH2KDM4E
SCHEMBL474014 0.85 CYP2D6 (0.51) CYP2D6SLC6A4HTR2AKCNH2KDM4E
SCHEMBL7669104 0.85 ALDH1A1 (0.54) SLC6A4HTR2AKCNH2KDM4EALDH1A1
SCHEMBL27955325 0.81 SLC6A4 (0.44) SLC6A4HTR2AKCNH2ALDH1A1ADRA1A
SCHEMBL8747066 0.81 TAAR1 (0.66) SLC6A4HTR2AKCNH2ADRA1ATAAR1
SCHEMBL30207828 0.81 TAAR1 (0.66) SLC6A4HTR2AKCNH2ADRA1ATAAR1
SCHEMBL19003636 0.80 ERBB2 (0.44) SLC6A4HTR2AKCNH2ADRA1ATAAR1
SCHEMBL19295490 0.80 SLC6A4 (0.43) SLC6A4HTR2AKCNH2ALDH1A1ADRA1A
SCHEMBL10814111 0.80 CYP2D6 (0.50) CYP2D6KDM4EALDH1A1ADRA1ATAAR1
SCHEMBL5428835 0.80 POLB (0.65) KDM4EALDH1A1TDP1HSD17B10CTSD

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
CN-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed
EP-4185592-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF Annexon, Inc. (US) 2023-05-31 EP disclosed