SCHEMBL23778976

SCHEMBL23778976

O=C(O)N1CCn2ncc(N3CCC4(CC4)C3=O)c2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.32
▸ ITGA2B P08514 5/20 0.32
▸ CREBBP Q92793 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
SCHEMBL23779004 0.83 HRH3 (0.42) —
SCHEMBL28475381 0.75 GRM5 (0.36) CREBBP
SCHEMBL22831718 0.72 NR1H2 (0.39) —
SCHEMBL28558608 0.72 CREBBP (0.34) CREBBP
Hydrochloric Acid SCHEMBL23778900 0.72 HRH3 (0.32) —
SCHEMBL17925617 0.69 CREBBP (0.34) CREBBP
SCHEMBL20596105 0.69 CREBBP (0.34) CREBBP
SCHEMBL23705926 0.67 DRD2 (0.39) CREBBP
SCHEMBL23705880 0.66 CREBBP (0.34) CREBBP
SCHEMBL22831722 0.66 HRH4 (0.47) —

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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