SCHEMBL4776252

SCHEMBL4776252

Cc1c(CN2CCC(c3c(F)cccc3F)CC2)c2ccccc2n1CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.44
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
DRD4 P21917 1/20 0.40
HTR6 P50406 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
USP14 P54578 2/20 0.38
PLA2G2A P14555 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4778231 0.93 KDM4E (0.46) PTGDR2KDM4ESMN1; SMN2POLBTSHR
SCHEMBL4781548 0.86 LMNA (0.44) PTGDR2KDM4ESMN1; SMN2POLBTSHR
SCHEMBL4708685 0.85 HTR6 (0.43) PTGDR2KDM4ESMN1; SMN2POLBTSHR
SCHEMBL4779231 0.85 CNR2 (0.46) PTGDR2KDM4EPOLBCNR1CNR2
SCHEMBL4779433 0.84 PTGDR2 (0.50) PTGDR2KDM4ESMN1; SMN2POLBTSHR
SCHEMBL4708952 0.83 CNR2 (0.41) KDM4EPOLBCNR1CNR2ALDH1A1
SCHEMBL4774376 0.83 SIGMAR1 (0.47) SMN1; SMN2POLBCNR2ALDH1A1MAPT
SCHEMBL4778810 0.82 KDM4E (0.46) PTGDR2KDM4ESMN1; SMN2POLBTSHR
SCHEMBL4774108 0.82 KDM4E (0.44) PTGDR2KDM4ESMN1; SMN2POLBTSHR
SCHEMBL4776203 0.82 KDM4E (0.46) PTGDR2KDM4ESMN1; SMN2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO claimed
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed