SCHEMBL6002678

SCHEMBL6002678

CC(C)(C)OC(=O)N1CC2(CCNCC2)c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.43
KDM1A O60341 1/20 0.39
CHRM4 P08173 3/20 0.39
CHRM1 P11229 2/20 0.39
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
P2RY1 P47900 2/20 0.36
NOTUM Q6P988 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
MAPK1 P28482 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
SCHEMBL28611990 0.84 KCNH2 (0.46) KCNH2KDM1ACHRM4CHRM1POLB
SCHEMBL7569116 0.81 KDM1A (0.47) KCNH2KDM1ACHRM4CHRM1POLB
SCHEMBL1222469 0.81 NOTUM (0.53) KDM1AHDAC1HDAC8HDAC6P2RY1
SCHEMBL30413026 0.81 NOTUM (0.53) KDM1AHDAC1HDAC8HDAC6P2RY1
SCHEMBL23570520 0.81 POLB (0.43) KCNH2KDM1ACHRM4POLBP2RY1
SCHEMBL29640159 0.81 KCNH2 (0.52) KCNH2CHRM4CHRM1NOTUM
Hydrochloric Acid SCHEMBL25232027 0.80 NOTUM (0.52) KDM1AHDAC1HDAC8HDAC6P2RY1
SCHEMBL6002974 0.77 CYP11B2 (0.38) KDM1AHDAC1HDAC8HDAC6P2RY1
SCHEMBL23570688 0.75 POLB (0.38) KCNH2KDM1ACHRM4POLBP2RY1
SCHEMBL20631821 0.75 POLB (0.38) KCNH2KDM1APOLBP2RY1GPR119

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