SCHEMBL9214155

SCHEMBL9214155

Cc1cc2c(cc1C)C(=O)NCC2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 12/20 0.62
PARP11 Q9NR21 8/20 0.62
PARP1 P09874 7/20 0.62
KDM4E B2RXH2 1/20 0.56
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
GRM5 P41594 5/20 0.50
PDPK1 O15530 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL29977721 0.85 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL15830717 0.85 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL20488275 0.85 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL23865194 0.85 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL12559528 0.85 GRM5 (0.59) PARP10PARP11PARP1KDM4EF7
SCHEMBL24681318 0.85 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL15471838 0.85 PARP10 (0.56) PARP10PARP11PARP1KDM4EF7
SCHEMBL20884012 0.83 PARP10 (0.53) PARP10PARP11PARP1KDM4EF7
SCHEMBL20232210 0.83 PARP10 (0.53) PARP10PARP11PARP1KDM4EF7
SCHEMBL18875036 0.80 PARP10 (0.50) PARP10PARP11PARP1KDM4EF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589625-B1 ISOQUINOLIN AND NAPHTHYDRIN COMPOUNDS LILLY CO ELI (US) 2021-04-14 EP disclosed
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed