SCHEMBL25293900

SCHEMBL25293900

Cc1cc(N2CCc3cc(F)ccc3C2)cc(C)c1I

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.57
▸ MAOB P27338 2/20 0.48
▸ GRIN2D O15399 2/20 0.39
▸ GRIN3B O60391 2/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2A Q12879 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ GRIN2C Q14957 2/20 0.39
▸ GRIN3A Q8TCU5 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ EED O75530 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ DPP4 P27487 1/20 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
SCHEMBL25246726 0.86 KCNQ2 (0.57) KCNQ2MAOBGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL31546558 0.84 KCNQ2 (0.56) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL30487420 0.84 KCNQ2 (0.54) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL25101483 0.83 KCNQ2 (0.64) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL30487393 0.79 KCNQ2 (0.74) KCNQ2MAOBSCN9A
SCHEMBL25774116 0.79 KCNQ2 (0.62) KCNQ2MAOBMAPTSCN9ANR3C2
SCHEMBL25244695 0.78 KCNQ2 (0.53) KCNQ2MAOBMAPTEEDNR3C2
SCHEMBL31020108 0.78 KCNQ2 (0.73) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL30487384 0.77 KCNQ2 (0.49) KCNQ2MAOBGRIN2DGRIN3BGRIN1
SCHEMBL25287430 0.77 KCNQ2 (0.49) 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 5 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-2024067819-A1 PIPERIDINE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2024-04-04 — — WO 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
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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