SCHEMBL25923933

SCHEMBL25923933

CCC(CC)n1nnc2cccc(C(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.38
▸ HSD11B1 P28845 7/20 0.36
▸ GRM2 Q14416 3/20 0.35
▸ ESR1 P03372 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ PRPS1 P60891 1/20 0.31

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
SCHEMBL25922298 0.75 PRPS1 (0.41) HSD11B1GRM2ESR1P2RX7KCNH2
SCHEMBL25924821 0.73 ESR1 (0.35) HSD11B1ESR1P2RX7
SCHEMBL25923960 0.70 HCAR3 (0.32) HCAR3
SCHEMBL11407750 0.69 HCAR3 (0.55) HCAR3GRM2ALDH1A1CYP1A2SLC9A1
SCHEMBL25315277 0.69 AR (0.38) HSD11B1GRM2ESR1KCNH2ALDH1A1
SCHEMBL25923938 0.69 AR (0.38) HSD11B1GRM2ESR1KCNH2ALDH1A1
SCHEMBL30506949 0.69 AR (0.38) HSD11B1GRM2ESR1KCNH2ALDH1A1
SCHEMBL29693662 0.64 SLC9A1 (0.40) HSD11B1GRM2P2RX7ALDH1A1CYP1A2
SCHEMBL31698451 0.63 ESR1 (0.41) HCAR3HSD11B1ESR1P2RX7PRPS1
SCHEMBL20806166 0.61 HCAR3 (0.43) HCAR3ALDH1A1SMN1; SMN2SLC9A1

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
WO-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 — — WO disclosed
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