SCHEMBL31487542

SCHEMBL31487542

COC(=O)c1ncn(CCc2cccc(C(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.46
▸ CYP4A11 Q02928 2/20 0.46
▸ SLC7A5 Q01650 2/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ CD74 P04233 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR7 P34969 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
SCHEMBL31487689 0.89 SLC7A5 (0.46) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487702 0.84 SLC7A5 (0.46) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487570 0.84 SLC7A5 (0.46) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487511 0.77 CYP4F2 (0.46) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487746 0.73 SLC7A5 (0.47) CYP4F2CYP4A11SLC7A5LOXL2ABHD6
SCHEMBL31487667 0.72 NOTUM (0.36) HTR1AHTR7
SCHEMBL18764884 0.72 DRD2 (0.44) —
SCHEMBL5382573 0.72 SLC7A5 (0.60) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL7505386 0.72 CYP4F2 (0.69) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4
SCHEMBL31487557 0.72 CYP4F2 (0.69) CYP4F2CYP4A11SLC7A5LOXL2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 — — WO disclosed
Send feedback