SCHEMBL30046201

SCHEMBL30046201

O=C1C(=O)N([C@H]2C[C@H](c3ccccc3)C2)CCN1Cc1ccc(-c2ccccc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 9/20 0.58
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
CHRNA7 P36544 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL30047301 1.00 IL4I1 (0.58) IL4I1CYP11B1CYP11B2RXFP1CHRNA7
SCHEMBL27163158 1.00 IL4I1 (0.58) IL4I1CYP11B1CYP11B2RXFP1CHRNA7
SCHEMBL27163162 1.00 IL4I1 (0.58) IL4I1CYP11B1CYP11B2RXFP1CHRNA7
SCHEMBL27163300 1.00 IL4I1 (0.58) IL4I1CYP11B1CYP11B2RXFP1CHRNA7
SCHEMBL30948361 0.89 IL4I1 (0.66) IL4I1CYP11B1CYP11B2RXFP1CHRNA7
SCHEMBL27163138 0.87 IL4I1 (0.50) IL4I1RXFP1POLBTP53
SCHEMBL27163580 0.87 IL4I1 (0.50) IL4I1RXFP1POLBTP53
SCHEMBL27163134 0.87 IL4I1 (0.50) IL4I1RXFP1POLBTP53
SCHEMBL30046889 0.85 IL4I1 (0.77) IL4I1CYP11B1CYP11B2RXFP1POLB
SCHEMBL30948314 0.85 IL4I1 (0.74) IL4I1CYP11B1CYP11B2RXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed