SCHEMBL30939604

SCHEMBL30939604

CC[C@H]1NC(=O)N(c2cnc(Oc3ccc(C#N)cc3C(C)(C)C)nc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.32
SSTR4 P31391 2/20 0.31
GRM2 Q14416 1/20 0.31
TRPV4 Q9HBA0 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CYP2C9 P11712 1/20 0.30
ESRRB O95718 1/20 0.30
ESR1 P03372 1/20 0.30
ESRRA P11474 1/20 0.30
ESRRG P62508 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL1981909 1.00 ELANE (0.32) ELANESSTR4GRM2TRPV4NPSR1
SCHEMBL1979583 0.90 ELANE (0.33) ELANESSTR4GRM2NPSR1
SCHEMBL29437994 0.90 ELANE (0.33) ELANESSTR4GRM2NPSR1
SCHEMBL30939565 0.88 SLC6A4 (0.33) NPSR1
SCHEMBL1981385 0.88 SLC6A4 (0.33) NPSR1
SCHEMBL21610173 0.81 ELANE (0.32) ELANE
SCHEMBL24350320 0.81 CYP11B1 (0.31)
SCHEMBL21580651 0.80 ELANE (0.33) ELANEGRM2CYP2C9
SCHEMBL31089782 0.80 ELANE (0.33) ELANEGRM2CYP2C9
SCHEMBL19805308 0.79 SSTR4 (0.32) SSTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118267386-A Modulators of KV3 channels for the treatment of pain 奥提芙尼治疗学有限公司 2024-07-02 CN disclosed
CN-108472288-B Modulators of KV3 channels for the treatment of pain 奥提芙尼治疗学有限公司 2024-05-28 CN disclosed