SCHEMBL30438887

SCHEMBL30438887

COc1cccc(Cc2cc(OC)ccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
DHFR P00374 1/20 0.50
TAAR1 Q96RJ0 3/20 0.49
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CNR1 P21554 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR4 P22455 1/20 0.47
MAPT P10636 1/20 0.47
MAOB P27338 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADCY10 Q96PN6 1/20 0.46
CHRM5 P08912 1/20 0.46

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
SCHEMBL952826 0.87 PKM (0.55) CHRM2CHRM1CHRM3DHFRTAAR1
SCHEMBL30887370 0.80 HTR1A (0.53) CHRM2CHRM1CHRM3DHFRTAAR1
SCHEMBL6201870 0.80 MTNR1A (0.51) CHRM2CHRM1CHRM3DHFRTAAR1
SCHEMBL2099512 0.80 CHRM2 (0.66) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL26906374 0.78 DHFR (0.55) CHRM2CHRM1CHRM3DHFRTAAR1
SCHEMBL14191204 0.77 LTA4H (0.70) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL226216 0.77 MAOB (0.56) CHRM2CHRM1CHRM3DHFRTAAR1
SCHEMBL5646180 0.76 ANO1 (0.50) CHRM2CHRM1CHRM3DHFRTAAR1
SCHEMBL30887371 0.75 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL25798793 0.75 ABCB1 (0.62) CHRM2CHRM1CHRM3DHFRCNR1

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
CN-116120759-A Method for synthesizing anthracene fluorescent dye 岱纳科技(北京)有限公司 2023-05-16 CN disclosed