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Sugi Predict / Compounds / SCHEMBL7455345

SCHEMBL7455345

SCHEMBL7455345

c1ccc(C(c2ccccc2)(c2ccccc2)c2n[nH]cc2C[C@H]2CO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ KCNN4 O15554 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
SCHEMBL9182082 0.75 TSHR (0.30) —
SCHEMBL3825569 0.75 TSHR (0.30) —
SCHEMBL11202722 0.73 IDO1 (0.38) —
SCHEMBL7451655 0.72 MGLL (0.39) MEN1KMT2ATDP1
SCHEMBL9181769 0.72 LMNA (0.36) —
SCHEMBL9185329 0.72 AKR1B1 (0.41) MEN1KMT2ATDP1
SCHEMBL3825796 0.71 MEN1 (0.31) MEN1KMT2A
SCHEMBL9180692 0.68 CYP1A2 (0.33) —
SCHEMBL7454500 0.66 ALDH1A1 (0.32) KCNN4
SCHEMBL8808259 0.66 NR1H2 (0.31) KCNN4

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
EP-1036064-A4 SELECTIVE BETA 3-ADRENERGIC AGONISTS LILLY CO ELI (US) 2002-11-27 — — EP disclosed
EP-1036064-A1 SELECTIVE BETA 3-ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2000-09-20 — — EP disclosed
WO-1999029672-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1999-06-17 — — WO disclosed
WO-1999029673-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1999-06-17 — — WO disclosed