SCHEMBL31020061

SCHEMBL31020061

CCSc1c(F)c(N2CCc3cc(F)ccc3C2)cc(C)c1C(C(N)=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.44
▸ DPP9 Q86TI2 10/20 0.40
▸ DPP8 Q6V1X1 8/20 0.40
▸ DPP7 Q9UHL4 5/20 0.40
▸ DPP4 P27487 5/20 0.40
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PITRM1 Q5JRX3 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL31020102 0.81 KCNQ2 (0.40) KCNQ2DPP9DPP8DPP7DPP4
SCHEMBL25252637 0.81 KCNQ2 (0.40) KCNQ2DPP9DPP8DPP7DPP4
SCHEMBL26661822 0.80 KCNQ2 (0.60) KCNQ2DPP9DPP8DPP7DPP4
SCHEMBL30577022 0.80 KCNQ2 (0.60) KCNQ2DPP9DPP8DPP7DPP4
SCHEMBL30487382 0.79 KCNQ2 (0.68) KCNQ2
SCHEMBL25290691 0.79 KCNQ2 (0.68) KCNQ2
SCHEMBL30487421 0.78 KCNQ2 (0.39) KCNQ2DPP9DPP8DPP7DPP4
SCHEMBL31519835 0.78 KCNQ2 (0.42) KCNQ2DPP9DPP8DPP7DPP4
SCHEMBL26184003 0.77 KCNQ2 (0.46) KCNQ2DPP9DPP8DPP7DPP4
SCHEMBL31546547 0.77 KCNQ2 (0.43) KCNQ2DPP9DPP8DPP7DPP4

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-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
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