SCHEMBL5135310

SCHEMBL5135310

O=C1CC(c2cc(F)cc(F)c2F)CN1Cc1cnc(Cl)n1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.34
GRM5 P41594 1/20 0.34
DPP4 P27487 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31

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
SCHEMBL2749666 0.88 GRM5 (0.33) QPCTGRM5DPP4HPGDTSHR
SCHEMBL2334323 0.80 LMNA (0.38) GRM5DPP4HPGDTSHR
SCHEMBL30361116 0.80 LMNA (0.38) GRM5DPP4HPGDTSHR
SCHEMBL2334972 0.78 HPGD (0.39) GRM5DPP4HPGDTSHRPDE4A
SCHEMBL5061246 0.77 CHRM5 (0.36) GRM5HCAR2
SCHEMBL29868304 0.77 QPCT (0.42) QPCTGRM5DPP4HPGDTSHR
SCHEMBL15385182 0.77 QPCT (0.42) QPCTGRM5DPP4HPGDTSHR
SCHEMBL2331907 0.76 GRM5 (0.35) GRM5DPP4HCAR2
SCHEMBL1667787 0.76 MAPT (0.34) QPCTGRM5DPP4HPGDTSHR
SCHEMBL2332686 0.76 QPCT (0.35) QPCTGRM5DPP4HPGDTSHR

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
EP-1891042-A2 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB Pharma, S.A. (BE) 2008-02-27 EP claimed
WO-2006128693-A2 2 -OXO-I -PYRROLIDINE DERIVATIVES/ PROCESSES FOR PREPARING THEM AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO claimed