SCHEMBL7475160

SCHEMBL7475160

O=C(O)Cc1c(C(=O)c2cc3c(cn2)CCCC3)[nH]c2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 1.00
PTGS1 P23219 3/20 0.48
MCL1 Q07820 1/20 0.46
GPR17 Q13304 1/20 0.45

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
SCHEMBL6169948 0.84 PTGS2 (0.73) PTGS2PTGS1GPR17
SCHEMBL6170778 0.83 PTGS2 (0.76) PTGS2PTGS1GPR17
SCHEMBL6171284 0.82 PTGS2 (0.70) PTGS2PTGS1GPR17
SCHEMBL6168380 0.82 PTGS2 (0.70) PTGS2PTGS1GPR17
SCHEMBL6169936 0.81 PTGS2 (0.70) PTGS2PTGS1MCL1GPR17
SCHEMBL6170571 0.80 PTGS2 (0.71) PTGS2PTGS1GPR17
SCHEMBL6170181 0.78 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6171586 0.78 PTGS2 (0.64) PTGS2PTGS1GPR17
SCHEMBL6171550 0.78 PTGS2 (0.64) PTGS2PTGS1GPR17
SCHEMBL6170896 0.77 PTGS2 (0.64) PTGS2PTGS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1065204-B1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER (US) 2002-04-10 EP claimed
US-6303628-B1 FOR THE TREATMENT OF A MEDICAL CONDITION IN WHICH PROSTAGLANDINS ARE IMPLICATED AS PATHOGENS IN MAMMALS PFIZER INC 2001-10-16 US claimed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 EP claimed
EP-1065204-B1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER (US) 2002-04-10 EP disclosed
US-6303628-B1 FOR THE TREATMENT OF A MEDICAL CONDITION IN WHICH PROSTAGLANDINS ARE IMPLICATED AS PATHOGENS IN MAMMALS PFIZER INC 2001-10-16 US disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 EP disclosed