SCHEMBL6002974

SCHEMBL6002974

CC(C)(C)OC(=O)N1CC2(CCNCC2)c2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
KDM1A O60341 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NR1H2 P55055 1/20 0.36
NOTUM Q6P988 2/20 0.35
GPR119 Q8TDV5 2/20 0.34
NAMPT P43490 7/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CYP2C9 P11712 1/20 0.34
P2RY1 P47900 2/20 0.34
AKT1 P31749 1/20 0.33

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
SCHEMBL1222469 0.83 NOTUM (0.53) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL30413026 0.83 NOTUM (0.53) KDM1AHDAC1HDAC8HDAC6NOTUM
Hydrochloric Acid SCHEMBL25232027 0.82 NOTUM (0.52) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL17807352 0.82 KDM1A (0.43) CYP11B2KDM1ANR1H2NOTUMGPR119
SCHEMBL5599315 0.80 DPP4 (0.37) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL5599635 0.79 HDAC1 (0.38) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL1223344 0.78 NOTUM (0.41) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL20955744 0.77 NOTUM (0.57) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL6002678 0.77 KCNH2 (0.43) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL1195029 0.77 AKT1 (0.41) KDM1AHDAC1HDAC8HDAC6NOTUM

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