SCHEMBL31546550

SCHEMBL31546550

Cc1cc(N2CCc3cc(F)ccc3C2)cc(C#CC2CC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.46
▸ MAOB P27338 2/20 0.37
▸ GRIN2D O15399 4/20 0.35
▸ GRIN3B O60391 4/20 0.35
▸ GRIN1 Q05586 4/20 0.35
▸ GRIN2A Q12879 4/20 0.35
▸ GRIN2B Q13224 4/20 0.35
▸ GRIN2C Q14957 4/20 0.35
▸ GRIN3A Q8TCU5 4/20 0.35
▸ CHRM1 P11229 3/20 0.35
▸ ADRA1D P25100 3/20 0.35
▸ ADRA1A P35348 3/20 0.35
▸ ADRA1B P35368 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DPP9 Q86TI2 3/20 0.31
▸ DPP4 P27487 2/20 0.31
▸ DPP8 Q6V1X1 2/20 0.31
▸ APP P05067 1/20 0.31
▸ BACE1 P56817 1/20 0.31

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
SCHEMBL31546524 0.83 KCNQ2 (0.44) KCNQ2MAOBALDH1A1DPP9DPP4
SCHEMBL25246726 0.83 KCNQ2 (0.57) KCNQ2MAOBGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL31546558 0.82 KCNQ2 (0.56) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL25287430 0.81 KCNQ2 (0.49) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL30487384 0.81 KCNQ2 (0.49) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL31546562 0.78 KCNQ2 (0.76) KCNQ2
SCHEMBL25290650 0.77 KCNQ2 (0.47) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL31020115 0.77 KCNQ2 (0.47) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL25293900 0.76 KCNQ2 (0.57) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL25246524 0.73 KCNQ2 (0.50) KCNQ2MAOBGRIN2DGRIN3BGRIN1

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-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 — — CN disclosed
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