SCHEMBL30487416

SCHEMBL30487416

[2H]C1c2ccc(F)cc2CCN1c1cc(C)c([N+](=O)[O-])c(SCC)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NR3C2 P08235 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL30487391 0.90 KCNQ2 (0.48) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL25245702 0.90 KCNQ2 (0.48) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL30487327 0.89 RAB9A (0.35) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL25243902 0.86 KCNQ2 (0.46) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL30487409 0.86 KCNQ2 (0.46) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL25285856 0.85 KCNQ2 (0.47) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL25254811 0.79 KCNQ2 (0.41) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL31020091 0.79 KCNQ2 (0.41) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL25245481 0.78 KCNQ2 (0.42) KCNQ2RAB9AMAPTLMNAMEN1
SCHEMBL25244199 0.78 KCNQ2 (0.40) KCNQ2RAB9AMAPTLMNAMEN1

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-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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