SCHEMBL23396885

SCHEMBL23396885

Cc1cc(-c2ccc(CNc3nccc(N4CCc5ncccc5C4)n3)cc2)ccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.40
▸ GRIN3B O60391 2/20 0.40
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ GRIN2C Q14957 2/20 0.40
▸ GRIN3A Q8TCU5 2/20 0.40
▸ HRH4 Q9H3N8 6/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.39
▸ OGA O60502 4/20 0.39
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HTR5A P47898 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
SCHEMBL18743016 0.88 WNT3A (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18743015 0.78 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18743018 0.73 ACHE (0.48) WNT3A
SCHEMBL23396886 0.73 ADAMTS4 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23396821 0.70 ADAMTS4 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18743141 0.70 WNT3A (0.46) WNT3AFGFR1FGFR2ACVR1
SCHEMBL18742909 0.69 WNT3A (0.43) WNT3A
SCHEMBL23396975 0.68 DYRK1A (0.48) MKNK1WNT3AHDAC1
SCHEMBL1588904 0.65 HRH4 (0.64) HRH4HRH3OGAADRA2BADRA2C
SCHEMBL23396655 0.64 WNT3A (0.41) WNT3AFGFR1FGFR2ACVR1

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-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 — — EP disclosed
Send feedback