SCHEMBL30487413

SCHEMBL30487413

CCSc1nc(N2CCc3cc(F)ccc3C2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.40
▸ KCNQ2 O43526 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TRPV3 Q8NET8 2/20 0.35
▸ GRIN2D O15399 5/20 0.34
▸ GRIN3B O60391 5/20 0.34
▸ GRIN1 Q05586 5/20 0.34
▸ GRIN2A Q12879 5/20 0.34
▸ GRIN2B Q13224 5/20 0.34
▸ GRIN2C Q14957 5/20 0.34
▸ GRIN3A Q8TCU5 5/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ ADRA1D P25100 3/20 0.34
▸ ADRA1A P35348 3/20 0.34
▸ ADRA1B P35368 3/20 0.34

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
SCHEMBL25242314 1.00 RAB9A (0.40) RAB9AKCNQ2JAK2JAK1TYK2
SCHEMBL25247526 0.85 RAB9A (0.42) RAB9AKCNQ2JAK2JAK1TYK2
SCHEMBL30487352 0.85 RAB9A (0.42) RAB9AKCNQ2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL31020077 0.84 RAB9A (0.41) RAB9AKCNQ2JAK2JAK1TYK2
Ammonia Solution, Strong SCHEMBL25241047 0.84 RAB9A (0.41) RAB9AKCNQ2JAK2JAK1TYK2
SCHEMBL25244708 0.83 GRIN2D (0.42) KCNQ2JAK2JAK1TYK2JAK3
SCHEMBL31020092 0.83 GRIN2D (0.42) KCNQ2JAK2JAK1TYK2JAK3
SCHEMBL25245702 0.80 KCNQ2 (0.48) RAB9AKCNQ2JAK2JAK1TYK2
SCHEMBL30487391 0.80 KCNQ2 (0.48) RAB9AKCNQ2JAK2JAK1TYK2
SCHEMBL30487350 0.80 KCNQ2 (0.38) KCNQ2JAK2JAK1TYK2JAK3

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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