SCHEMBL31020074

SCHEMBL31020074

CCSc1cc(N2CCOc3cc(F)ccc3C2)cc(C)c1N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 3/20 0.53
▸ RIPK1 Q13546 2/20 0.38
▸ NTRK1 P04629 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25292880 1.00 KCNQ2 (0.53) KCNQ2RIPK1NTRK1ALDH1A1L3MBTL1
SCHEMBL25290731 0.88 KCNQ2 (0.46) KCNQ2RIPK1NTRK1
SCHEMBL25290730 0.87 KCNQ2 (0.45) KCNQ2RIPK1NTRK1
SCHEMBL25245957 0.84 KCNQ2 (0.51) KCNQ2RIPK1NTRK1ALDH1A1
SCHEMBL30487373 0.84 KCNQ2 (0.51) KCNQ2RIPK1NTRK1ALDH1A1
SCHEMBL30487403 0.83 KCNQ2 (0.50) KCNQ2ALDH1A1L3MBTL1
SCHEMBL25246524 0.83 KCNQ2 (0.50) KCNQ2ALDH1A1L3MBTL1
SCHEMBL25774878 0.83 KCNQ2 (0.36) KCNQ2
SCHEMBL25776944 0.80 KCNQ2 (0.66) KCNQ2RIPK1
SCHEMBL30487412 0.79 KCNQ2 (0.82) KCNQ2

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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