SCHEMBL6152641

SCHEMBL6152641

Cc1cc(-c2cccc(-c3ccc(O)c4c3C3CCC4C3)n2)c(C)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL6153077 0.80 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6152762 0.79 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6152658 0.78 NOS3 (0.68) NOS3NOS1NOS2
SCHEMBL6152396 0.78 NOS3 (0.43) NOS3NOS1NOS2GAA
SCHEMBL6155624 0.77 NOS3 (0.43) NOS3NOS1NOS2
SCHEMBL5833265 0.76 IDO1 (0.37) MGAMGAASIMGAM2
SCHEMBL6152642 0.75 NOS3 (0.41) NOS3NOS1NOS2CHRNB2CHRNA4
SCHEMBL5833170 0.74 NOS3 (0.35) NOS3NOS1NOS2MGAMGAA
SCHEMBL6152640 0.70 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL16006330 0.69 CHRNB2 (0.36) GAACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084109-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2005-01-26 EP disclosed
EP-1084109-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062883-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed