SCHEMBL23778965

SCHEMBL23778965

O=C(O)N1CCn2ncc(C(=O)N3CCC4CC43)c2C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.34
▸ DRD3 P35462 1/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ MYT1 Q01538 1/20 0.30

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
SCHEMBL29946237 0.85 SPR (0.42) —
SCHEMBL28558608 0.70 CREBBP (0.34) CDK1MYT1
SCHEMBL23705926 0.68 DRD2 (0.39) DRD3
SCHEMBL20596105 0.68 CREBBP (0.34) CDK1MYT1
SCHEMBL23778828 0.65 POLB (0.43) —
SCHEMBL23705880 0.65 CREBBP (0.34) DPP4
SCHEMBL1758925 0.64 — —
SCHEMBL28611830 0.64 CSNK1D (0.36) CDK1MYT1
SCHEMBL23778976 0.63 ITGB3 (0.32) —
SCHEMBL28561720 0.63 TSHR (0.39) —

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-3873909-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2021-09-08 — — EP disclosed
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