SCHEMBL6002415

SCHEMBL6002415

O=C(c1ccnc(Cl)c1)N1CCC2(CC1)CNc1cccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.42
PROKR1 Q8TCW9 1/20 0.41
CYP2D6 P10635 5/20 0.39
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 2/20 0.39
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
HTR1A P08908 1/20 0.38
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA5 P31644 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
SCHEMBL4256792 0.86 PROKR1 (0.43) AVPR1APROKR1CYP3A4GFERALDH1A1
SCHEMBL6002433 0.82 AVPR1A (0.42) AVPR1APROKR1CYP2D6CYP3A4CYP1A2
SCHEMBL6218887 0.80 AVPR1A (0.51) AVPR1APROKR1SMN1; SMN2ALDH1A1PKM
SCHEMBL12566957 0.73 POLB (0.49) TSHR
SCHEMBL937205 0.72 PROKR1 (0.63) PROKR1SMN1; SMN2GFERKDM4EALDH1A1
SCHEMBL939096 0.72 PROKR1 (0.63) PROKR1GFERKDM4EALDH1A1HPGD
SCHEMBL22904160 0.72 PROKR1 (0.46) PROKR1CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL24996458 0.72 OTUD7B (0.37) CYP1A2SMN1; SMN2
SCHEMBL30763484 0.72 OTUD7B (0.37) CYP1A2SMN1; SMN2
SCHEMBL7492026 0.71 SIGMAR1 (0.54) PROKR1GFERKDM4EHPGD

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-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