SCHEMBL24628707

SCHEMBL24628707

CCOC(=O)c1cc(OCCc2ccc(OC3CCNCC3)cc2)cc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.44
▸ PLG P00747 4/20 0.44
▸ PRSS1 P07477 4/20 0.44
▸ PRSS2 P07478 4/20 0.44
▸ PRSS3 P35030 4/20 0.44
▸ F2 P00734 2/20 0.44
▸ GPR119 Q8TDV5 4/20 0.38
▸ HPGD P15428 2/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL26657492 0.93 F10 (0.45) F10PLGPRSS1PRSS2PRSS3
SCHEMBL24628709 0.82 F10 (0.43) F10PLGPRSS1PRSS2PRSS3
SCHEMBL24628769 0.81 ESR2 (0.44) F10PLGPRSS1PRSS2PRSS3
SCHEMBL26657561 0.80 F10 (0.50) F10PLGPRSS1PRSS2PRSS3
SCHEMBL30670212 0.79 F10 (0.41) F10PLGPRSS1PRSS2PRSS3
SCHEMBL26657625 0.79 F10 (0.41) F10PLGPRSS1PRSS2PRSS3
SCHEMBL24628746 0.72 ESR2 (0.56) GPR119HPGDNR1H2ADORA1KDM4E
SCHEMBL6671296 0.72 HRH3 (0.57) F10PLGPRSS1PRSS2PRSS3
SCHEMBL20558294 0.69 ADORA1 (0.51) NR1H2ADORA1ALDH1A1ESR2
SCHEMBL30670170 0.69 ADORA1 (0.51) NR1H2ADORA1ALDH1A1ESR2

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-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 — — WO disclosed
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