SCHEMBL28045651

SCHEMBL28045651

CCc1cccc(CC)c1-n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
ANPEP P15144 2/20 0.43
DPP4 P27487 2/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPEPPS P55786 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
DRD3 P35462 2/20 0.38
MGLL Q99685 1/20 0.38
DAO P14920 1/20 0.35

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
SCHEMBL28046974 0.80 PARP1 (0.42) GABRA1GABRB2ANPEPDPP4LMNA
SCHEMBL13241274 0.76 MGLL (0.52) GABRA1GABRB2LMNAPOLBRECQL
SCHEMBL28045778 0.76 GABRA1 (0.52) GABRA1GABRB2
SCHEMBL11077561 0.76 IDO1 (0.46) LMNAPOLB
Hydrochloric Acid SCHEMBL28581672 0.74 IDO1 (0.45) LMNAPOLB
SCHEMBL28667914 0.73 ANPEP (0.49) GABRA1GABRB2ANPEPDPP4CRHBP
SCHEMBL14785713 0.73 NOS2 (0.41)
SCHEMBL28045544 0.71 CALM1 (0.44) DRD4HTR2ADRD3DAO
SCHEMBL29382376 0.70 DPP4 (0.68) ANPEPDPP4CRHBPCRHR2NPEPPS
SCHEMBL987346 0.70 DPP4 (0.68) ANPEPDPP4CRHBPCRHR2NPEPPS

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
CN-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 CN claimed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 CN claimed
CN-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 CN disclosed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 CN disclosed