SCHEMBL24368259

SCHEMBL24368259

COc1ccc2cc(CC(=O)N3CCC(n4c(=O)[nH]c5cccc(C(F)(F)F)c54)CC3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD11B1 P28845 6/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ CHRM1 P11229 2/20 0.40
▸ TNKS O95271 3/20 0.38
▸ PARP1 P09874 3/20 0.38
▸ PARP2 Q9UGN5 3/20 0.38
▸ CCR3 P51677 1/20 0.37
▸ C5AR1 P21730 1/20 0.37
▸ CALCRL Q16602 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL24368225 0.90 LMNA (0.44) LMNAMAPK1HTTHSD11B1OPRK1
SCHEMBL26068032 0.89 LMNA (0.43) LMNAMAPK1HTTHSD11B1OPRK1
SCHEMBL29518251 0.88 LMNA (0.44) LMNAMAPK1HTTHSD11B1CHRM1
SCHEMBL24368202 0.88 LMNA (0.44) LMNAMAPK1HTTHSD11B1CHRM1
SCHEMBL29518321 0.86 PLD2 (0.45) LMNAMAPK1HTTHSD11B1CHRM1
SCHEMBL22605644 0.86 PLD2 (0.45) LMNAMAPK1HTTHSD11B1CHRM1
SCHEMBL22605615 0.85 OPRK1 (0.50) LMNAMAPK1HTTHSD11B1OPRK1
SCHEMBL31285903 0.85 OPRK1 (0.50) LMNAMAPK1HTTHSD11B1OPRK1
SCHEMBL29518148 0.84 PIK3CA (0.35) LMNAMAPK1HTTHSD11B1CHRM1
SCHEMBL22588684 0.83 PLD2 (0.43) LMNAMAPK1HTTHSD11B1CHRM1

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
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 — — EP disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 — — WO disclosed
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