SCHEMBL456469

SCHEMBL456469

CCc1[c]cccc1-c1ccccc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
MGLL Q99685 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
DHFR P00374 1/20 0.34
KCNN4 O15554 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 2/20 0.33
SLC9A1 P19634 1/20 0.32
PDK2 Q15119 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1170711 0.87 CYP2D6 (0.37) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10437918 0.84 NR1H2 (0.37) CYP2D6PPARGPPARATLR8
SCHEMBL64051 0.81 GABRA1 (0.41) CYP2D6MGLLGABRA1GABRB2MAPT
SCHEMBL365630 0.81 HEXA (0.36) CYP2D6NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3040415 0.81 CYP2D6 (0.40) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11048914 0.80 CSNK2A2 (0.36) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL15636515 0.79 DPP4 (0.40) CSNK2A2CSNK2BCSNK2A1CSNK2A3LMNA
SCHEMBL6928439 0.78 CYP2D6 (0.41) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL198461 0.78 CSNK2A2 (0.52) CYP2D6CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL1774729 0.78 DPP4 (0.36) MGLLLMNAALDH1A1MAPK1RAB9A

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-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
US-6133276-A A LIGAND INHIBITOR OF A CRF/CRF-BINDING PROTEIN COMPLEX TO EFFECT INCREASED LEVELS OF CRF; 2,4-DIOXO- OR 2-THIOCARBONYL-4-OXO-5-(HYDROCARBYL(THIO)CARBONYLAMINOMETHYL)-6-HYDROXY-HEXA-HEXAHYDROPYRIMIDINES; ALZHEIMER'S, OBESITY; LOW SIDE EFFECTS NEUROCRINE BIOSCIENCES, INC. (US) 2000-10-17 US disclosed
US-5959109-A A LIGAND INHIBITOR CAUSES RELASES OF CORTICOTROPIN-RELEASING FACTOR FROM THE CORTICOTROPIN/CORTICOTROPIN-BINDING PROTEIN COMPLEX, PROVIDES IMPROVEMENT IN LEARNING AND MEMORY NEUROCRINE BIOSCIENCES, INC. (US) 1999-09-28 US disclosed