SCHEMBL7490287

SCHEMBL7490287

c1cc2c(cn1)[N]CCN2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL7490290 0.83 NISCH (0.39) NISCHCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL8324566 0.78
SCHEMBL5568 0.74 NISCH (0.38) NISCHADRA2AADRA2BADRA2CGAA
SCHEMBL1966927 0.70 CHRNB2 (0.41) NISCHCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL27380790 0.68 NISCH (0.33) NISCHCHRNB2CHRNA4ADRA2AADRA2B
SCHEMBL25434056 0.67 CHRNB2 (0.39) CHRNB2CHRNA4GAAMAPTIDO1
SCHEMBL8121570 0.67 GAA (0.32) CHRNB2CHRNA4GAAMAPTIDO1
SCHEMBL549069 0.65
SCHEMBL29844361 0.65
SCHEMBL736652 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
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
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed