SCHEMBL23044965

SCHEMBL23044965

Cc1cc(Br)ncc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.37
▸ S1PR1 P21453 3/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ MBOAT4 Q96T53 1/20 0.30
▸ ANO1 Q5XXA6 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL30932094 1.00 SCN5A (0.37) SCN5AS1PR1CYP1A2HRH4MBOAT4
SCHEMBL13073944 0.81 UHRF1 (0.42) SCN5AS1PR1CYP1A2
SCHEMBL19795270 0.78 SCN5A (0.34) SCN5AS1PR1
SCHEMBL20642466 0.78 PGK1 (0.36) SCN5ACYP1A2ANO1
SCHEMBL22759822 0.76 NQO2 (0.41) —
SCHEMBL24510022 0.76 ALOX5AP (0.33) CYP1A2SCN9A
SCHEMBL12828162 0.75 CYP3A4 (0.33) SCN5AHRH4
SCHEMBL31274754 0.73 HPGD (0.39) S1PR1
SCHEMBL19346801 0.73 HPGD (0.39) S1PR1
SCHEMBL17336545 0.73 MAPT (0.46) S1PR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409333-B Phenylpyrrolidine compounds 武汉人福创新药物研发中心有限公司 2024-06-14 — — CN disclosed
WO-2021036953-A1 PHENYLPYRROLIDINE COMPOUND 湖北生物医药产业技术研究院有限公司 2021-03-04 — — WO disclosed
WO-2021036953-A1 PHENYLPYRROLIDINE COMPOUND 湖北生物医药产业技术研究院有限公司 2021-03-04 — — WO disclosed
CN-112409333-A Phenylpyrrolidines 湖北生物医药产业技术研究院有限公司 2021-02-26 — — CN disclosed
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