SCHEMBL18833700

SCHEMBL18833700

CC1Cc2nc(-c3ccccc3OC(F)(F)F)n(Cc3ccccc3)c2C(=O)CC(CCCO)C(=O)[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.37
▸ CHRM4 P08173 5/20 0.36
▸ SCN9A Q15858 2/20 0.33
▸ USP1 O94782 1/20 0.32
▸ WDR48 Q8TAF3 1/20 0.32
▸ CHRM2 P08172 4/20 0.32
▸ CHRM1 P11229 3/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HCRTR1 O43613 3/20 0.32
▸ HCRTR2 O43614 3/20 0.32
▸ SCN5A Q14524 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ CTSA P10619 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
SCHEMBL19375362 0.94 MDM2 (0.32) MDM2CHRM4CSNK2A2CSNK2BCSNK2A1
SCHEMBL18834032 0.81 MDM2 (0.36) MDM2CHRM4CSNK2A2CSNK2BCSNK2A1
SCHEMBL20432149 0.75 CASR (0.33) MDM2CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL18835220 0.73 DPP4 (0.37) MDM2SCN9AFFAR4HCRTR1HCRTR2
SCHEMBL19375085 0.72 GFER (0.40) HCRTR1HCRTR2
SCHEMBL19375084 0.72 MDM2 (0.34) MDM2CHRM4USP1WDR48CSNK2A2
SCHEMBL18834648 0.68 PDE5A (0.37) CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL18835051 0.66 TRPC4 (0.35) —
SCHEMBL16028967 0.66 TRPC5 (0.58) —
SCHEMBL18833947 0.64 PDE5A (0.37) MDM2CHRM4DPP4

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
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP disclosed
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