SCHEMBL30487373

SCHEMBL30487373

CCSc1cc(N2CCOc3cc(F)ccc3C2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 3/20 0.51
▸ RIPK1 Q13546 2/20 0.37
▸ NTRK1 P04629 2/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL25245957 1.00 KCNQ2 (0.51) KCNQ2RIPK1NTRK1RAB9AMAPT
SCHEMBL25242315 0.86 KCNQ2 (0.56) KCNQ2RIPK1NTRK1RAB9AMAPT
SCHEMBL30487391 0.85 KCNQ2 (0.48) KCNQ2RAB9AMAPTMEN1ALDH1A1
SCHEMBL25245702 0.85 KCNQ2 (0.48) KCNQ2RAB9AMAPTMEN1ALDH1A1
SCHEMBL25292880 0.84 KCNQ2 (0.53) KCNQ2RIPK1NTRK1ALDH1A1
SCHEMBL31020074 0.84 KCNQ2 (0.53) KCNQ2RIPK1NTRK1ALDH1A1
SCHEMBL30487409 0.79 KCNQ2 (0.46) KCNQ2RAB9AMAPTMEN1ALDH1A1
SCHEMBL25243902 0.79 KCNQ2 (0.46) KCNQ2RAB9AMAPTMEN1ALDH1A1
SCHEMBL25776944 0.78 KCNQ2 (0.66) KCNQ2RIPK1
SCHEMBL25285856 0.77 KCNQ2 (0.47) KCNQ2RAB9AMAPTMEN1ALDH1A1

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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