SCHEMBL5773019

SCHEMBL5773019

O=C(O)CCc1c2c(nn1-c1ccc(Cl)cc1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.46
RXRB P28702 8/20 0.46
RXRG P48443 8/20 0.46
PTGES O14684 1/20 0.41
ENPP2 Q13822 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PTGS2 P35354 3/20 0.40
GABRA1 P14867 2/20 0.40
GABRA2 P47869 2/20 0.40
PTGS1 P23219 2/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
FABP4 P15090 1/20 0.37

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
SCHEMBL5774355 0.88 FABP4 (0.47) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL5775162 0.76 FFAR4 (0.45) GABRA1
SCHEMBL10746091 0.73 PTGS2 (0.51) ENPP2PTGS2GABRA1GABRA2PTGS1
SCHEMBL5774661 0.73 SIGMAR1 (0.56)
SCHEMBL5772957 0.73 POLB (0.55) RXRARXRBRXRGMAPT
SCHEMBL11593125 0.72 PTGS2 (0.54) ENPP2NR1H4PTGS2GABRA1GABRA2
SCHEMBL1712324 0.71 NR1H4 (0.43) ENPP2NR1H4GABRA1GABRA2
SCHEMBL11665630 0.71 PTGS2 (0.50) ENPP2NR1H4PTGS2GABRA1GABRA2
SCHEMBL11596013 0.71 PTGS2 (0.49) ENPP2PTGS2GABRA1GABRA2PTGS1
SCHEMBL4878309 0.71 PTGS2 (0.49) ENPP2PTGS2GABRA1GABRA2PTGS1

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
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed