SCHEMBL30152262

SCHEMBL30152262

CCOC(=O)c1cn(-c2cc(Cc3cc(F)cc(C(F)(F)F)c3)ncc2C)nc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 16/20 0.42
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23803908 1.00 GPR52 (0.42) GPR52THRBNPC1MAPTRAB9A
SCHEMBL30120818 1.00 GPR52 (0.42) GPR52THRBNPC1MAPTRAB9A
SCHEMBL30121029 0.89 GPR52 (0.44) GPR52
SCHEMBL23824115 0.89 GPR52 (0.44) GPR52
SCHEMBL23803831 0.88 GPR52 (0.52) GPR52
SCHEMBL30120785 0.88 GPR52 (0.52) GPR52
SCHEMBL23803891 0.84 GPR52 (0.54) GPR52THRBNPC1RAB9ASMN1; SMN2
SCHEMBL30120873 0.84 GPR52 (0.54) GPR52THRBNPC1RAB9ASMN1; SMN2
SCHEMBL31096950 0.81 GPR52 (0.41) GPR52MAPTALDH1A1
SCHEMBL23803883 0.76 GPR52 (0.55) GPR52

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
CN-115515681-A GPR52 modulator compounds 赫普泰雅治疗有限公司 2022-12-23 CN disclosed