SCHEMBL27380712

SCHEMBL27380712

CC(=O)N1CCN(c2c(C)n(CC(=O)Nc3ccc(C(F)(F)F)cc3)c3nc(N4CCCCC4)nn3c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.40
▸ ENPP2 Q13822 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ WRN Q14191 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TRPA1 O75762 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
SCHEMBL27377081 0.91 FPR2 (0.41) MCHR1ENPP2KMT2AFPR2EPHX2
SCHEMBL27381122 0.90 EPHX2 (0.38) MCHR1ENPP2KMT2AFPR2EPHX2
SCHEMBL27381048 0.90 EPHX2 (0.38) MCHR1ENPP2KMT2AFPR2EPHX2
SCHEMBL27380972 0.89 ENPP2 (0.39) ENPP2KMT2AFPR2EPHX2WRN
SCHEMBL27381045 0.89 WRN (0.38) ENPP2KMT2AFPR2EPHX2MEN1
SCHEMBL31005804 0.88 KDM4E (0.39) ENPP2KMT2AFPR2EPHX2WRN
SCHEMBL27380776 0.87 MCHR1 (0.37) MCHR1ENPP2KMT2AFPR2EPHX2
SCHEMBL27377219 0.87 EPHX2 (0.40) ENPP2KMT2AFPR2EPHX2WRN
SCHEMBL27381330 0.86 PDE2A (0.37) MCHR1ENPP2KMT2AFPR2EPHX2
SCHEMBL27381226 0.85 ENPP2 (0.41) ENPP2KMT2AMEN1WRNUSP2

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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