SCHEMBL13629404

SCHEMBL13629404

CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 1.00
TBXA2R P21731 18/20 1.00
PTGER1 P34995 2/20 1.00
PTGER3 P43115 2/20 1.00
PTGER2 P43116 2/20 1.00
PTGDR2 Q9Y5Y4 2/20 1.00
PTGER4 P35408 1/20 1.00
PTGFR P43088 1/20 1.00

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
SCHEMBL13629406 1.00 PTGDR (1.00) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL990528 1.00 PTGDR (1.00) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL4548353 1.00 PTGDR (1.00) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL8260383 0.95 PTGDR (0.90) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL12808618 0.93 PTGDR (0.86) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL14401189 0.92 PTGDR (0.84) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL13635024 0.92 PTGDR (0.84) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL13176191 0.90 PTGDR (0.81) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL13176193 0.90 PTGDR (0.81) PTGDRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL13629405 0.88 PTGDR (0.79) PTGDRTBXA2RPTGER1PTGER3PTGER2

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
US-7618979-B2 Pyridopyrrolizine and pyridoindolizine derivatives MERCK FROSST CANADA LTD. (CA) 2009-11-17 US disclosed
US-7618979-B2 Pyridopyrrolizine and pyridoindolizine derivatives MERCK FROSST CANADA LTD. (CA) 2009-11-17 US disclosed