SCHEMBL8319064

SCHEMBL8319064

CC(C)c1ccc[c]c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
GCGR P47871 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 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
SCHEMBL16105728 0.84 KIF11 (0.35) GABRA1GABRB2FAAHCA1CA2
SCHEMBL7201334 0.83 GABRA1 (0.39) GABRA1GABRB2FAAHCA1CA2
SCHEMBL9648926 0.78 NOTUM (0.33)
SCHEMBL9649081 0.76 GCGR (0.31) GCGR
SCHEMBL9648530 0.76 KCNH2 (0.33) GCGR
SCHEMBL2011907 0.76 KDM4E (0.38) LMNATSHRPTGS1
SCHEMBL150096 0.75 MAOB (0.32)
SCHEMBL9648571 0.73 P2RX3 (0.32) GCGR
SCHEMBL9646745 0.73 MAPK1 (0.31) GCGR
SCHEMBL5014600 0.73 PTGS2 (0.39) GCGRPTGS1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356118-B Polysubstitution pyrroles pitavastatin lactone dewatering compound and application thereof 上海应用技术学院 2017-03-22 CN disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed