SCHEMBL25969989

SCHEMBL25969989

CCC(F)(F)c1ccc(Oc2ccc3c(c2)CN(C(=O)CC2CCOC2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ F10 P00742 4/20 0.39
▸ PLG P00747 2/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ CCR2 P41597 4/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CPT2 P23786 2/20 0.37
▸ CPT1A P50416 2/20 0.37
▸ MOGAT2 Q3SYC2 1/20 0.37
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL31565954 0.91 NAMPT (0.44) NAMPTESR1ESR2F10PLG
SCHEMBL31565984 0.86 CCR2 (0.44) NAMPTESR1ESR2F10PLG
SCHEMBL31566094 0.84 ESR1 (0.43) ESR1ESR2F10CCR2KCNH2
SCHEMBL3992628 0.79 NAMPT (0.48) NAMPTESR1ESR2F10KCNH2
SCHEMBL3998544 0.77 CNR2 (0.48) NAMPTF10CPT2CPT1AMOGAT2
SCHEMBL31565899 0.75 LIPE (0.41) NAMPTESR1ESR2F10SCN9A
SCHEMBL31565889 0.75 ESR1 (0.47) ESR1ESR2
SCHEMBL31565989 0.74 RORC (0.43) NAMPTESR1ESR2F10
SCHEMBL31566005 0.74 FAP (0.43) NAMPTESR1ESR2F10KCNH2
SCHEMBL31566015 0.73 CCR2 (0.46) NAMPTESR1ESR2CCR2KCNH2

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-2023147063-A2 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2023-08-03 — — WO disclosed
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