SCHEMBL14067656

SCHEMBL14067656

CCOC(=O)CCCN1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.55
AKR1B10 O60218 1/20 0.54
AKR1B1 P15121 1/20 0.54
PTGER2 P43116 2/20 0.53
PTGDR Q13258 1/20 0.53
CYP2C9 P11712 2/20 0.51
GRIN2B Q13224 1/20 0.49
BAZ2B Q9UIF8 1/20 0.46

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
SCHEMBL14067947 0.89 GRIN2B (0.52) PTGDR2AKR1B10AKR1B1PTGER2PTGDR
SCHEMBL14067946 0.83 HTR6 (0.61) PTGDR2PTGER2PTGDRCYP2C9GRIN2B
SCHEMBL4132976 0.82 HRH1 (0.56) PTGDR2GRIN2B
SCHEMBL14067659 0.82 HTR6 (0.52) GRIN2B
SCHEMBL14067986 0.82 GRIN2B (0.56) PTGDR2GRIN2B
SCHEMBL14067648 0.82 GRIN2B (0.49) PTGDR2AKR1B10AKR1B1PTGDRGRIN2B
SCHEMBL14067655 0.81 PTGDR2 (0.53) PTGDR2AKR1B10AKR1B1PTGER2PTGDR
SCHEMBL14067779 0.81 HTR6 (0.60) PTGDR2AKR1B10AKR1B1
SCHEMBL3724842 0.81 HTR6 (0.62) GRIN2B
SCHEMBL14067977 0.79 GRIN2B (0.51) PTGDR2GRIN2BBAZ2B

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
WO-2008115098-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND THE USE THEREOF ALLA CHEM, LLC (US) 2008-09-25 WO disclosed