SCHEMBL30878154

SCHEMBL30878154

CCCCOC(=O)N[C@@H](COc1ccc2cnc(C)cc2c1Br)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 1/20 0.37
▸ CTSK P43235 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NCEH1 Q6PIU2 1/20 0.36
▸ LPAR1 Q92633 2/20 0.35
▸ LPAR3 Q9UBY5 2/20 0.35
▸ CTRB1 P17538 2/20 0.35
▸ ACE P12821 2/20 0.35
▸ ACE2 Q9BYF1 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ GALR1 P47211 1/20 0.35
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL27133393 0.87 MAPK1 (0.39) MAPK1NCEH1
SCHEMBL27032865 0.87 MAPK1 (0.39) MAPK1NCEH1
SCHEMBL29828809 0.85 ATM (0.47) CYP3A4ACEATM
SCHEMBL29096959 0.85 ATM (0.47) CYP3A4ACEATM
SCHEMBL30639523 0.85 ATM (0.47) CYP3A4ACEATM
SCHEMBL29096956 0.75 SCN9A (0.44) CTSKNCEH1
SCHEMBL27032864 0.75 ATM (0.47) CTSKCYP3A4ACEATM
SCHEMBL27135967 0.75 ATM (0.47) CTSKCYP3A4ACEATM
SCHEMBL29096853 0.75 PRNP (0.35) MAPK1NCEH1
SCHEMBL29096854 0.75 PRNP (0.35) MAPK1NCEH1

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-4587012-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 — — EP disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
WO-2024056791-A1 COMBINATION OF MACROCYCLIC CFTR MODULATORS WITH CFTR CORRECTORS AND / OR CFTR POTENTIATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 — — WO disclosed
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