SCHEMBL29226629

SCHEMBL29226629

CC1(c2ccc(O)cc2)CCN(C(F)(F)C(=O)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.37
▸ GRM5 P41594 1/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ APP P05067 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL25026045 0.78 ESR1 (0.43) OPRD1GRM5ESR1ESR2
SCHEMBL25553800 0.73 USP2 (0.44) OPRD1GRM5ESR1CYP2D6CYP2C9
SCHEMBL25560262 0.73 OPRD1 (0.46) OPRD1GRM5ESR1ESR2OPRM1
SCHEMBL4492789 0.71 ESR2 (0.52) OPRD1ESR1ESR2MMP2MMP9
SCHEMBL19459178 0.70 ESR2 (0.48) OPRD1GRM5ESR2MAPT
SCHEMBL25553798 0.68 ALDH1A1 (0.47) OPRD1ESR1ESR2OPRM1HSD11B1
SCHEMBL29226649 0.68 OPRD1 (0.40) OPRD1GRM5ESR1ESR2MMP2
SCHEMBL1495106 0.67 ESR2 (0.54) OPRD1ESR1ESR2MMP2MMP9
SCHEMBL5241008 0.67 ESR2 (0.60) OPRD1ESR1ESR2MMP2MMP9
SCHEMBL1516123 0.66 ESR2 (0.61) OPRD1ESR1ESR2MMP2MMP9

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-118119595-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-05-31 — — CN disclosed
Send feedback