SCHEMBL5055849

SCHEMBL5055849

O=C1CC(c2ccccc2)CN1Cc1cnc2ncccn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
BRD4 O60885 3/20 0.43
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NLRP3 Q96P20 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
LMNA P02545 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2749344 0.84 HPGD (0.56) HPGDTSHRBRD4TP53CHRM2
SCHEMBL5056187 0.77 DRD4 (0.39) HPGDDRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL27889785 0.76 DRD4 (0.40) DRD4DRD3ADRA1DADRA1A
SCHEMBL2360299 0.73 HCRTR1 (0.44) HPGDTSHRBRD4CHRM2CHRM4
SCHEMBL2360037 0.73 SRD5A1 (0.47) HPGDTSHRBRD4TP53CHRM2
Hydrochloric Acid SCHEMBL3048178 0.72 HCRTR1 (0.43) HPGDTSHRBRD4CHRM2CHRM4
SCHEMBL2360104 0.72 TSHR (0.56) HPGDTSHRBRD4TP53CHRM2
SCHEMBL5055392 0.72 HPGD (0.53) HPGDTSHRBRD4TP53CHRM2
SCHEMBL16033027 0.72 HPGD (1.00) HPGDTSHRBRD4TP53CHRM2
SCHEMBL1665784 0.71 HPGD (0.59) HPGDTSHRBRD4TP53CHRM2

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 6 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
EP-1912966-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB, S.A. (BE) 2008-04-23 EP disclosed
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 disclosed
WO-2006128692-A2 2-OXO-1-PYRROLIDINE DERIVATIVES AND THEIR THERAPEUTIC USE ON THE CENTRAL NERVOUS SYSTEM UCB PHARMA, S.A. (BE) 2006-12-07 WO disclosed
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 disclosed