SCHEMBL30120840

SCHEMBL30120840

CCOC(=O)c1cn(-c2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 13/20 0.53
THRB P10828 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL23803880 1.00 GPR52 (0.53) GPR52THRBMRGPRX4NPC1LMNA
SCHEMBL23803891 0.91 GPR52 (0.54) GPR52THRBNPC1LMNARAB9A
SCHEMBL30120873 0.91 GPR52 (0.54) GPR52THRBNPC1LMNARAB9A
SCHEMBL30120895 0.89 GPR52 (0.52) GPR52THRBNPC1LMNARAB9A
SCHEMBL23803856 0.89 GPR52 (0.52) GPR52THRBNPC1LMNARAB9A
SCHEMBL30152177 0.89 GPR52 (0.52) GPR52THRBNPC1LMNARAB9A
SCHEMBL23803852 0.87 GPR52 (0.56) GPR52
SCHEMBL30120829 0.87 GPR52 (0.56) GPR52
SCHEMBL23803883 0.83 GPR52 (0.55) GPR52
SCHEMBL30120942 0.83 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 3 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
CN-115515681-A GPR52 modulator compounds 赫普泰雅治疗有限公司 2022-12-23 CN disclosed