SCHEMBL31208509

SCHEMBL31208509

COC(=O)c1cnc(Br)cc1OC1CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 16/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 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
SCHEMBL25237844 1.00 OPRK1 (0.41) OPRK1PDE5ACHEK1PDE4APDE4B
SCHEMBL23012453 0.89 OPRK1 (0.41) OPRK1PDE5A
SCHEMBL25284971 0.84 PDE5A (0.40) OPRK1PDE5ACHEK1PDE4APDE4B
SCHEMBL31208551 0.84 PDE5A (0.40) OPRK1PDE5ACHEK1PDE4APDE4B
SCHEMBL18339703 0.82 KDM4E (0.46) —
SCHEMBL22835084 0.78 TRPC6 (0.47) OPRK1PDE5ACHEK1PDE4APDE4B
SCHEMBL29598236 0.78 TRPC6 (0.47) OPRK1PDE5ACHEK1PDE4APDE4B
SCHEMBL31208501 0.77 OPRK1 (0.42) OPRK1
SCHEMBL20563399 0.77 NR4A2 (0.48) PDE5A
SCHEMBL23012559 0.76 KMO (0.39) —

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-118742542-A Inhibitors of MET kinase 金耐特生物制药公司 2024-10-01 — — CN disclosed
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