SCHEMBL27381122

SCHEMBL27381122

CC(=O)N1CCN(c2c(C)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c3nc(N4CC5CC5C4)nn3c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ ENPP2 Q13822 6/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ WRN Q14191 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ TRPV1 Q8NER1 3/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL27380712 0.90 MCHR1 (0.40) EPHX2ENPP2FPR2WRNMAPT
SCHEMBL27377081 0.89 FPR2 (0.41) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL27377219 0.89 EPHX2 (0.40) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL27381048 0.88 EPHX2 (0.38) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL27380972 0.87 ENPP2 (0.39) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL27381330 0.87 PDE2A (0.37) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL31005804 0.86 KDM4E (0.39) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL27380776 0.85 MCHR1 (0.37) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL27381045 0.84 WRN (0.38) EPHX2ENPP2FPR2WRNLMNA
SCHEMBL27380969 0.84 WRN (0.36) EPHX2ENPP2FPR2WRNLMNA

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-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 — — WO disclosed
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