SCHEMBL25053369

SCHEMBL25053369

CN[C@@H]1CCN(I)[C@H](c2cccc(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
GRM5 P41594 1/20 0.37
KMT2A Q03164 5/20 0.36
DRD4 P21917 1/20 0.36
MEN1 O00255 3/20 0.36
CFB P00751 1/20 0.36
TACR1 P25103 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL27077230 0.80 RIPK1 (0.49) RIPK1GRM5KMT2ADRD4MEN1
SCHEMBL4297768 0.76 MAOB (0.43) RIPK1MAOBMAOACARM1PRMT6
SCHEMBL29892012 0.74 RIPK1 (0.52) RIPK1TACR1
SCHEMBL29116012 0.74 RIPK1 (0.52) RIPK1TACR1
SCHEMBL4096504 0.73 MAOB (0.38) RIPK1MAOBMAOACARM1PRMT6
SCHEMBL16474198 0.73 KDM4E (0.39) RIPK1KDM4EMAOBMAOACARM1
SCHEMBL25053379 0.71 KDM4E (0.43) RIPK1KDM4EMAOBMAOACARM1
SCHEMBL18783100 0.69 RIPK1 (0.54) RIPK1MAOBMAOA
SCHEMBL25053573 0.69 KDM4E (0.41) RIPK1KDM4EMAOBMAOACARM1
SCHEMBL4294410 0.68 RIPK1 (0.50) RIPK1MAOBMAOAALDH1A1

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
WO-2022200523-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2023-02-16 WO disclosed