SCHEMBL23916706

SCHEMBL23916706

C=Cc1ccnc(N2CCC(C)(CNC)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.41
▸ HRH4 Q9H3N8 3/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ METTL3 Q86U44 2/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ SORD Q00796 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 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
SCHEMBL19546591 0.75 HRH4 (0.56) HRH4HRH3GAAMAPTKDM4E
SCHEMBL19546754 0.74 HRH4 (0.54) HRH4HRH3
SCHEMBL19547082 0.73 HRH4 (0.54) HRH4MAPTRAB9APOLB
SCHEMBL19546944 0.72 OGA (0.40) HRH4OPRD1MAPTKDM4E
SCHEMBL19546962 0.72 HRH3 (0.43) HRH3ADRA1DADRA1AADRA1B
SCHEMBL23916232 0.72 HRH4 (0.39) HRH4SORDHRH3GRIN2DGRIN3B
SCHEMBL19546973 0.72 HRH3 (0.43) HRH4SORDHRH3MAPTKDM4E
SCHEMBL23916630 0.71 WNT1 (0.40) HRH4MAPTKDM4EPOLB
SCHEMBL23916092 0.70 HRH4 (0.42) HRH4HRH3KDM4E
SCHEMBL19546959 0.69 HRH4 (0.38) HRH4SORDHRH3GRIN2DGRIN3B

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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