SCHEMBL3308914

SCHEMBL3308914

[c]1ccc(-c2ccccc2)c2c1CC2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
ANPEP P15144 3/20 0.33
IL1RN P18510 2/20 0.33
ERAP2 Q6P179 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
BACE1 P56817 1/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL10622407 0.73 PARP10 (0.45) PRCPPARP10PARP11ALDH1A1MAPK1
SCHEMBL8938884 0.69
SCHEMBL2050046 0.67 ADORA2A (0.37) PRCPALDH1A1MAPK1ANPEPIL1RN
SCHEMBL3312444 0.67 CYP19A1 (0.32)
SCHEMBL10788448 0.67 BACE1 (0.50) PRCPPARP10PARP11ALDH1A1BACE1
SCHEMBL2044117 0.66 PRCP (0.35) PRCPALDH1A1ANPEPIL1RNERAP2
SCHEMBL15863475 0.64 ALDH1A1 (0.39) ALDH1A1MAPK1BACE1HSD17B10HPGD
SCHEMBL30698218 0.64 PRCP (0.61) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL5346333 0.64 PRCP (0.61) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL891578 0.63 LMNA (0.36) ALDH1A1MAPK1BACE1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205609-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP claimed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO claimed
US-8623459-B2 Substrates with biopassive coating BASF SE (DE) 2014-01-07 US disclosed
US-8591994-B2 Substrates with biocidal coating CIBA CORPORATION (US) 2013-11-26 US disclosed
US-20100178427-A1 SUBSTRATES WITH BIOCIDAL COATING CIBA CORPORATION (US) 2010-07-15 US disclosed
EP-2205609-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
US-20100112364-A1 SUBSTRATES WITH BIOPASSIVE COATING CIBA CORPORATION (US) 2010-05-06 US disclosed
EP-2160097-A2 SUBSTRATES WITH BIOCIDAL COATING BASF SE (DE) 2010-03-10 EP disclosed
EP-2147060-A2 SUBSTRATES WITH BIOPASSIVE COATING BASF SE (DE) 2010-01-27 EP disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2008132045-A2 SUBSTRATES WITH BIOCIDAL COATING BASF SE (CH) 2008-11-06 WO disclosed
WO-2008132037-A2 SUBSTRATES WITH BIOPASSIVE COATING BASF SE (CH) 2008-11-06 WO disclosed
US-5856328-A DIHYDROPYRIDINE COMPOUND THE GREEN CROSS CORPORATION (JP) 1999-01-05 US disclosed
US-5530001-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF HYPERLIPEMIA, ARTERIOSCLEROSIS AND CEREBRAL DISEASES THE GREEN CROSS CORPORATION (JP) 1996-06-25 US disclosed