SCHEMBL6002433

SCHEMBL6002433

O=C(c1ccnc(Cl)c1)N1CCC2(CC1)CNc1ncccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

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
KDM4E B2RXH2 1/20 0.38
PKLR P30613 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
OTUD7B Q6GQQ9 1/20 0.38
PKM P14618 1/20 0.38
HTR1A P08908 1/20 0.38
KCNH2 Q12809 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
SCHEMBL6002415 0.82 AVPR1A (0.42) AVPR1APROKR1CYP2D6CYP3A4CYP1A2
SCHEMBL6218887 0.80 AVPR1A (0.51) AVPR1APROKR1SMN1; SMN2ALDH1A1PKM
SCHEMBL28785987 0.80 OTUD7B (0.42) AVPR1ACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL4256792 0.75 PROKR1 (0.43) AVPR1APROKR1CYP3A4ALDH1A1HPGD
SCHEMBL29640113 0.73 POLB (0.49) KCNH2
SCHEMBL1997374 0.73 POLB (0.49) KCNH2
SCHEMBL937205 0.72 PROKR1 (0.63) PROKR1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL939096 0.72 PROKR1 (0.63) PROKR1KDM4EALDH1A1HPGD
SCHEMBL22904160 0.72 PROKR1 (0.46) PROKR1CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL18181144 0.72 OTUD7B (0.40) CYP3A4CYP1A2SMN1; SMN2CYP2C19OTUD7B

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