SCHEMBL29452903

SCHEMBL29452903

COCCNC(=O)c1cccc(-c2cccc3cc(Cc4cc(F)cc(Cl)c4)sc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 13/20 1.00
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.39
▸ SNCA P37840 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL3198777 1.00 GPR52 (1.00) GPR52TP53HPGDKDM4ELMNA
SCHEMBL3218938 0.94 GPR52 (0.88) GPR52HPGDALOX15
SCHEMBL3204292 0.94 GPR52 (0.88) GPR52TP53HPGDKDM4ELMNA
SCHEMBL3210142 0.93 GPR52 (0.87) GPR52TP53HPGDLMNAMAPT
SCHEMBL3204403 0.93 GPR52 (0.86) GPR52TP53LMNAMAPTSNCA
SCHEMBL3213566 0.92 GPR52 (0.85) GPR52TP53SNCA
SCHEMBL3197888 0.90 GPR52 (0.81) GPR52MRGPRX4
SCHEMBL3210761 0.90 GPR52 (0.81) GPR52TP53HPGDKDM4ELMNA
SCHEMBL3220886 0.90 GPR52 (0.81) GPR52LMNASNCA
SCHEMBL13489581 0.90 GPR52 (0.81) GPR52TP53HPGDKDM4ELMNA

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 8 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-4401833-A1 GPR52 MODULATOR COMPOUNDS Nxera Pharma UK Limited (GB) 2024-07-24 — — EP disclosed
CN-117999258-A GPR52 modulator compounds 赫普泰雅治疗有限公司 2024-05-07 — — CN disclosed
EP-4204408-A1 GPR52 MODULATOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-07-05 — — EP disclosed
WO-2023041909-A1 GPR52 MODULATOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-03-23 — — WO disclosed
EP-4117784-A1 GPR52 MODULATOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-01-18 — — EP disclosed
EP-4055016-A1 GPR52 MODULATOR COMPOUNDS Heptares Therapeutics Limited (GB) 2022-09-14 — — EP disclosed
WO-2022043714-A1 GPR52 MODULATOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-03-03 — — WO disclosed
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