SCHEMBL4256792

SCHEMBL4256792

O=C(c1ccnc(Cl)c1)N1CCC2(CC1)CNc1cc(Cl)cnc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 5/20 0.43
AVPR1A P37288 1/20 0.41
TACR3 P29371 1/20 0.40
PKM P14618 1/20 0.37
HTR1A P08908 3/20 0.37
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
GRM5 P41594 1/20 0.36
GFER P55789 1/20 0.36
SPR P35270 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL6002415 0.86 AVPR1A (0.42) PROKR1AVPR1APKMHTR1AGFER
SCHEMBL27888816 0.83 AVPR1A (0.39) PROKR1AVPR1ASPRALDH1A1HPGD
SCHEMBL6218887 0.81 AVPR1A (0.51) PROKR1AVPR1ATACR3PKMENPP2
SCHEMBL2001801 0.76 POLB (0.42)
SCHEMBL6002433 0.75 AVPR1A (0.42) PROKR1AVPR1APKMHTR1AALDH1A1
SCHEMBL17436091 0.71 PDE4B (0.47) PKMGRM5ALDH1A1HPGDHSD17B10
SCHEMBL939096 0.71 PROKR1 (0.63) PROKR1GFERALDH1A1HPGD
SCHEMBL937205 0.71 PROKR1 (0.63) PROKR1PKMGFERALDH1A1HPGD
SCHEMBL22904160 0.71 PROKR1 (0.46) PROKR1ENPP2ATXN2ALDH1A1CYP3A4
SCHEMBL7492026 0.70 SIGMAR1 (0.54) PROKR1GFERHPGD

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-1694677-B1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2009-12-02 EP disclosed
EP-1694677-A1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS Syngenta Participations AG (CH) 2006-08-30 EP disclosed
WO-2005061500-A1 SPIROPIPERIDINE DERIVATIVES FOR CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2005-07-07 WO disclosed