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SCHEMBL20656231

SCHEMBL20656231

CCCN(C(=O)c1c(NC=O)nc(-c2ccc(C)nc2OCC2CC2)n1Cc1ccccc1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.34
▸ PTGIR P43119 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ P2RX3 P56373 7/20 0.32
▸ USP1 O94782 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ NAMPT P43490 1/20 0.32

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
SCHEMBL20656015 0.88 CNR2 (0.34) CNR2MDM2P2RX3ACACB
SCHEMBL24095598 0.81 MDM2 (0.32) CNR2PTGIRMDM2P2RX3ACACB
SCHEMBL20655944 0.80 FFAR4 (0.34) CNR2MDM2P2RX3ACACB
SCHEMBL20656040 0.78 FFAR4 (0.35) CNR2MDM2ACACB
SCHEMBL24095550 0.78 MDM2 (0.37) MDM2
SCHEMBL24095548 0.77 FFAR4 (0.36) CNR2MDM2
SCHEMBL24095547 0.77 MDM2 (0.35) CNR2MDM2P2RX3
SCHEMBL20656239 0.76 CNR1 (0.32) CNR2MDM2ACACB
SCHEMBL24095919 0.74 ACACB (0.36) USP1ACACBNAMPT
SCHEMBL24095601 0.71 P2RX3 (0.35) MDM2P2RX3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 — — EP disclosed
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
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