SCHEMBL30046284

SCHEMBL30046284

O=C1C(=O)N([C@H]2C[C@H](c3ccccc3)C2)CCN1Cc1ccc(-c2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 8/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
GRM2 Q14416 2/20 0.39
POLB P06746 1/20 0.38
CHRNA7 P36544 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
LMNA P02545 1/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL27163074 1.00 IL4I1 (0.46) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL27163077 1.00 IL4I1 (0.46) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL30180955 1.00 IL4I1 (0.46) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL30046016 1.00 IL4I1 (0.46) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL27163745 1.00 IL4I1 (0.46) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL30046438 0.86 IL4I1 (0.62) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL27163582 0.86 IL4I1 (0.62) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL30047301 0.82 IL4I1 (0.58) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL30046201 0.82 IL4I1 (0.58) IL4I1CYP11B1CYP11B2RXFP1TP53
SCHEMBL27163158 0.82 IL4I1 (0.58) IL4I1CYP11B1CYP11B2RXFP1TP53

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