SCHEMBL31504394

SCHEMBL31504394

CC(C)CCc1cn(-c2cccc(Nc3ccc(OCc4ccccn4)cc3C3CC3)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 5/20 0.41
▸ RXRA P19793 10/20 0.41
▸ GRIN1 Q05586 10/20 0.41
▸ GRIN2B Q13224 10/20 0.41
▸ MCHR1 Q99705 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL21623471 1.00 DDX3X (0.41) DDX3XRXRAGRIN1GRIN2BMCHR1
SCHEMBL21623435 0.93 RXRA (0.42) DDX3XRXRAGRIN1GRIN2BMCHR1
SCHEMBL31504417 0.93 RXRA (0.42) DDX3XRXRAGRIN1GRIN2BMCHR1
SCHEMBL21617311 0.89 KCNH2 (0.41) RXRAGRIN1GRIN2BMCHR1KCNH2
SCHEMBL21623400 0.86 RXRA (0.38) RXRAGRIN1GRIN2BMCHR1KCNH2
SCHEMBL31504429 0.86 RXRA (0.38) RXRAGRIN1GRIN2BMCHR1KCNH2
SCHEMBL23308004 0.82 RXRA (0.41) DDX3XRXRAGRIN1GRIN2BMCHR1
SCHEMBL21623405 0.81 CNR2 (0.39) MCHR1
SCHEMBL31504346 0.81 CNR2 (0.39) MCHR1
SCHEMBL21623406 0.79 GABRA1 (0.36) MCHR1

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
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
Send feedback