SCHEMBL15424657

SCHEMBL15424657

Cc1cc(C)c(CC(=O)N(C)C2(C#N)CCN(C)CC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 5/20 0.35
ALOX15 P16050 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ATM Q13315 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL1956497 0.89 RXFP1 (0.34) L3MBTL1RXFP1
SCHEMBL37429 0.87 RXFP1 (0.35) L3MBTL1RXFP1
SCHEMBL12688317 0.85 ALDH1A1 (0.37) L3MBTL1RXFP1KDM4EALDH1A1HPGD
SCHEMBL12688302 0.81 L3MBTL1 (0.36) L3MBTL1RXFP1
SCHEMBL15032112 0.80 L3MBTL1 (0.35) L3MBTL1RXFP1KDM4EALDH1A1
SCHEMBL15032115 0.80 RXFP1 (0.32) RXFP1KDM4EALDH1A1
SCHEMBL15032128 0.79 L3MBTL1 (0.35) L3MBTL1RXFP1
SCHEMBL14998149 0.79 RXFP1 (0.32) L3MBTL1RXFP1
SCHEMBL1955250 0.79
SCHEMBL15032117 0.78 RXFP1 (0.34) L3MBTL1RXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507240-B1 SPIRO FUSED 1-AMINO-PIPERIDINE PYRROLIDINE DIONE DERIVATIVES WITH PESTICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2014-01-15 EP disclosed