SCHEMBL7970829

SCHEMBL7970829

CCc1nn(CC2CC2)c2cc(C(=O)OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.47
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
PTGER4 P35408 1/20 0.43
MERTK Q12866 1/20 0.41
HRH1 P35367 1/20 0.40
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CRHR1 P34998 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3616599 0.87 SLC22A12 (0.49) SLC22A12KDM4EMEN1KMT2AALDH1A1
SCHEMBL7984640 0.87 SLC22A12 (0.61) SLC22A12PTGER4MEN1KMT2A
SCHEMBL3604440 0.86 SLC22A12 (0.43) SLC22A12CNR2KDM4EMEN1KMT2A
SCHEMBL31633052 0.86 CNR2 (0.46) CNR2CNR1PTGER4MERTKOPRD1
SCHEMBL3604441 0.84 SLC22A12 (0.43) SLC22A12CNR2CNR1PTGER4KDM4E
SCHEMBL3597241 0.79 SLC22A12 (0.43) SLC22A12MEN1KMT2AALDH1A1LMNA
SCHEMBL3597239 0.79 SLC22A12 (0.43) SLC22A12MEN1KMT2AALDH1A1LMNA
SCHEMBL7981717 0.79 MERTK (0.44) SLC22A12CNR2CNR1MERTKKDM4E
SCHEMBL3605146 0.79 MERTK (0.46) SLC22A12CNR2CNR1MERTKKDM4E
SCHEMBL27272748 0.79 SLC22A12 (0.44) SLC22A12KDM4EMEN1KMT2AALDH1A1

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
US-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 US disclosed