SCHEMBL7984065

SCHEMBL7984065

CCc1nn(C2CCCC2)c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.49
RXFP1 Q9HBX9 2/20 0.48
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
MERTK Q12866 1/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL7980464 0.90 PDE7A (0.52) PDE7ARXFP1MAPTTP53
SCHEMBL3605146 0.90 MERTK (0.46) PDE7ARXFP1MAPTTP53MERTK
SCHEMBL7987695 0.89 MAPT (0.49) PDE7ARXFP1MAPTTP53RAB9A
SCHEMBL7971299 0.89 MERTK (0.48) PDE7ARXFP1MAPTTP53MERTK
SCHEMBL7416384 0.88 MAPT (0.51) PDE7ARXFP1MAPTTP53CASP3
SCHEMBL7981717 0.88 MERTK (0.44) PDE7ARXFP1MAPTTP53MERTK
SCHEMBL7987823 0.85 NPC1 (0.49) RXFP1MAPTTP53NPC1SMN1; SMN2
SCHEMBL7970614 0.83 NAMPT (0.50) NPC1SMN1; SMN2
SCHEMBL7987870 0.82 HPGD (0.40) PDE7ARXFP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7984203 0.80 PDE4A (0.52) RXFP1MAPTTP53

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