SCHEMBL30487327

SCHEMBL30487327

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.35
▸ KCNQ2 O43526 1/20 0.33
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 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
SCHEMBL25254811 0.91 KCNQ2 (0.41) RAB9AKCNQ2HTR2AHTR2CHTR2B
SCHEMBL31020091 0.91 KCNQ2 (0.41) RAB9AKCNQ2HTR2AHTR2CHTR2B
SCHEMBL30487416 0.89 KCNQ2 (0.39) RAB9AKCNQ2HTR2AHTR2CHTR2B
SCHEMBL25245481 0.82 KCNQ2 (0.42) RAB9AKCNQ2LMNAMEN1ALDH1A1
SCHEMBL30487428 0.82 KCNQ2 (0.42) RAB9AKCNQ2LMNAMEN1ALDH1A1
SCHEMBL25245702 0.79 KCNQ2 (0.48) RAB9AKCNQ2LMNAMEN1ALDH1A1
SCHEMBL30487391 0.79 KCNQ2 (0.48) RAB9AKCNQ2LMNAMEN1ALDH1A1
SCHEMBL25244199 0.77 KCNQ2 (0.40) RAB9AKCNQ2LMNAMEN1ALDH1A1
SCHEMBL30487450 0.77 KCNQ2 (0.40) RAB9AKCNQ2LMNAMEN1ALDH1A1
SCHEMBL31020016 0.75 KCNQ2 (0.42) RAB9AKCNQ2HTR2AHTR2CHTR2B

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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