SCHEMBL30254917

SCHEMBL30254917

COc1ncc(Br)c(N2CCC(NC(=O)O)CC2)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 13/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GPR183 P32249 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33

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
SCHEMBL23658236 0.87 CKS1B (0.46) OPRK1CKS1BSKP1SKP2
SCHEMBL30255236 0.86 CKS1B (0.35) OPRK1CKS1BSKP1SKP2
SCHEMBL30255015 0.83 KDM4E (0.37) OPRK1KDM4ECKS1BSKP1SKP2
SCHEMBL20500351 0.76 CKS1B (0.47) OPRK1CNR1CNR2CKS1BSKP1
SCHEMBL21810299 0.73 CKS1B (0.46) OPRK1CNR1CNR2CKS1BSKP1
SCHEMBL20500375 0.73 CKS1B (0.46) OPRK1CNR1CNR2CKS1BSKP1
SCHEMBL20500497 0.72 CKS1B (0.45) OPRK1CNR1CNR2CKS1BSKP1
SCHEMBL21810232 0.72 CKS1B (0.45) OPRK1CNR1CNR2CKS1BSKP1
SCHEMBL30897173 0.71 CKS1B (0.46) OPRK1CKS1BSKP1SKP2
SCHEMBL16694846 0.70 CYP3A4 (0.39) OPRK1CKS1BSKP1SKP2

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-110650951-B Somatostatin modulators and uses thereof 克林提克斯医药股份有限公司 2023-02-24 — — CN disclosed
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