SCHEMBL30120895

SCHEMBL30120895

CCOC(=O)c1cn(-c2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)nc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.52
RIPK1 Q13546 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL30152177 1.00 GPR52 (0.52) GPR52RIPK1THRBNPC1LMNA
SCHEMBL23803856 1.00 GPR52 (0.52) GPR52RIPK1THRBNPC1LMNA
SCHEMBL30120873 0.91 GPR52 (0.54) GPR52THRBNPC1LMNARAB9A
SCHEMBL23803891 0.91 GPR52 (0.54) GPR52THRBNPC1LMNARAB9A
SCHEMBL30120840 0.89 GPR52 (0.53) GPR52THRBNPC1LMNARAB9A
SCHEMBL23803880 0.89 GPR52 (0.53) GPR52THRBNPC1LMNARAB9A
SCHEMBL23803814 0.89 GPR52 (0.54) GPR52RIPK1
SCHEMBL30121006 0.89 GPR52 (0.54) GPR52RIPK1
SCHEMBL23803861 0.85 GPR52 (0.46) GPR52RIPK1THRBNPC1RAB9A
SCHEMBL30120894 0.85 GPR52 (0.46) GPR52RIPK1THRBNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515681-B GPR52 modulator compounds 奈克斯拉制药英国有限公司 2024-09-03 CN disclosed
EP-4117784-A1 GPR52 MODULATOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-01-18 EP disclosed