SCHEMBL23916367

SCHEMBL23916367

CN1CCC(Cc2cc(C=C3CC3)ccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ HTR6 P50406 7/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ DYRK3 O43781 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ CXCR4 P61073 1/20 0.31
▸ SSTR4 P31391 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
SCHEMBL19546880 0.84 HTR6 (0.39) HRH4HRH3HTR6KDM2BACHE
SCHEMBL23048639 0.74 WNT1 (0.38) HRH4KDM2BDYRK1A
SCHEMBL23048678 0.73 POLB (0.40) CLK2DYRK1A
SCHEMBL8302404 0.71 KDM4E (0.50) HRH4HRH3HTR6ACHE
SCHEMBL23048665 0.71 HRH4 (0.52) HRH4HRH3CLK4
SCHEMBL19547077 0.70 HRH3 (0.41) HRH3DRD2
SCHEMBL16293110 0.69 KDM2B (0.38) KDM2B
SCHEMBL30646560 0.65 HRH3 (0.43) HRH4HRH3HTR6ACHE
SCHEMBL23617940 0.65 NOS3 (0.49) HRH4HRH3KDM2BACHE
SCHEMBL8899868 0.65 NR3C1 (0.36) DRD2

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-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 — — EP disclosed
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