SCHEMBL30487403

SCHEMBL30487403

CCSc1cc(N2CCc3cc(F)ccc3C2)cc(C)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.50
▸ MAOB P27338 2/20 0.39
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35

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
SCHEMBL25246524 1.00 KCNQ2 (0.50) KCNQ2MAOBHTR2AHTR2CHTR2B
SCHEMBL31020016 0.87 KCNQ2 (0.42) KCNQ2MAOBHTR2AHTR2CHTR2B
SCHEMBL25244972 0.87 KCNQ2 (0.42) KCNQ2MAOBHTR2AHTR2CHTR2B
SCHEMBL25246726 0.86 KCNQ2 (0.57) KCNQ2MAOBGRIN2DGRIN3BCHRM1
SCHEMBL25774695 0.85 KCNQ2 (0.56) KCNQ2MAOBHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL31546558 0.84 KCNQ2 (0.56) KCNQ2MAOBHTR2AHTR2BGRIN2D
SCHEMBL25290650 0.83 KCNQ2 (0.47) KCNQ2MAOBGRIN2DGRIN3BCHRM1
SCHEMBL31020115 0.83 KCNQ2 (0.47) KCNQ2MAOBGRIN2DGRIN3BCHRM1
SCHEMBL31020074 0.83 KCNQ2 (0.53) KCNQ2ALDH1A1L3MBTL1
SCHEMBL25292880 0.83 KCNQ2 (0.53) KCNQ2ALDH1A1L3MBTL1

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 3 patents. 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
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 — — CN disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 — — WO disclosed
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