SCHEMBL8255407

SCHEMBL8255407

CCCc1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.59
PARP1 P09874 6/20 0.59
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
PARP11 Q9NR21 6/20 0.49
PDPK1 O15530 1/20 0.49
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR2A P28223 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
GRM5 P41594 2/20 0.38

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
SCHEMBL8162850 0.87 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL21335655 0.83 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL14984344 0.81 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL22995086 0.81 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL8190887 0.80 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL27445552 0.79 PARP11 (0.52) PARP10PARP1PARP11PDPK1HTR2C
SCHEMBL12464716 0.78 PARP10 (0.51) PARP10PARP1F7F3PARP11
SCHEMBL8688671 0.77 PBRM1 (0.50) CNR1CNR2HTR2CHTR2BHTR2A
SCHEMBL4190017 0.77 SMN1; SMN2 (0.51) PARP10PARP1CNR1CNR2HTR2C
SCHEMBL2619126 0.75 PARP10 (1.00) PARP10PARP1F7F3PARP11

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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed