SCHEMBL12214

SCHEMBL12214

Cc1ccc(CN2CCOCC2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
HRH3 Q9Y5N1 3/20 0.43
ALDH1A1 P00352 4/20 0.42
GRM2 Q14416 3/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
PDE1B Q01064 1/20 0.41
GBA1 P04062 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL14960477 1.00 LTA4H (0.57) LTA4HHRH3ALDH1A1GRM2FAAH
SCHEMBL8805178 0.86 LTA4H (0.56) LTA4HHRH3ALDH1A1GRM2PDE1B
SCHEMBL30308375 0.86 LTA4H (0.56) LTA4HHRH3ALDH1A1GRM2PDE1B
SCHEMBL30508309 0.86 LTA4H (0.56) LTA4HHRH3ALDH1A1GRM2PDE1B
SCHEMBL30460552 0.86 LTA4H (0.56) LTA4HHRH3ALDH1A1GRM2PDE1B
SCHEMBL1189298 0.85 LTA4H (0.62) LTA4HCNR2
SCHEMBL1005882 0.85 LTA4H (0.62) LTA4HCNR2
SCHEMBL1005883 0.85 LTA4H (0.62) LTA4HCNR2
SCHEMBL22011076 0.83 LTA4H (0.54) LTA4HHRH3ALDH1A1GRM2PDE1B
SCHEMBL696684 0.83 SMN1; SMN2 (0.59) LTA4HHRH3ALDH1A1PDE1B

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-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed