SCHEMBL6446684

SCHEMBL6446684

C[C@]1(C(=O)C(=O)c2c[nH]c3c(-c4nn[nH]n4)ccc(F)c23)CN(C(=O)c2ccccn2)CCN1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
C5AR1 P21730 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LTB4R2 Q9NPC1 2/20 0.31
KDM4E B2RXH2 1/20 0.30
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL6446681 1.00 PARP1 (0.34) PARP1L3MBTL1C5AR1KDM4CLTB4R2
SCHEMBL6443103 0.83 L3MBTL1 (0.42) PARP1L3MBTL1KDM4EDPP4DPP9
SCHEMBL6442488 0.79 CYP2C19 (0.48) PARP1L3MBTL1
SCHEMBL6442483 0.79 CYP2C19 (0.48) PARP1L3MBTL1
SCHEMBL6442520 0.72 CYP2C9 (0.50) PARP1KDM4E
SCHEMBL6445472 0.70 L3MBTL1 (0.40) PARP1L3MBTL1DPP4DPP9
SCHEMBL6442530 0.70 L3MBTL1 (0.43) PARP1L3MBTL1KDM4EDPP4DPP9
SCHEMBL6442848 0.68 CYP2C19 (0.55) PARP1
SCHEMBL6442845 0.68 CYP2C19 (0.55) PARP1
SCHEMBL6441836 0.68 L3MBTL1 (0.41) PARP1L3MBTL1DPP4DPP9

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
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed