SCHEMBL7937312

SCHEMBL7937312

Cc1nn(-c2ccccc2)c(Nc2ccccc2C(=O)O)c1-c1ccc2ncc(=O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.57
ADORA2B P29275 2/20 0.57
ADORA2A P29274 1/20 0.57
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL3263967 0.92 ADORA1 (0.55) ADORA1ADORA2BADORA2AADORA3
SCHEMBL7939872 0.91 ADORA1 (0.71) ADORA1ADORA2BADORA2AADORA3
SCHEMBL7939176 0.84 ADORA1 (0.59) ADORA1ADORA2BADORA2AADORA3
SCHEMBL7939876 0.84 ADORA1 (0.71) ADORA1ADORA2BADORA2AADORA3
SCHEMBL7942415 0.82 ADORA1 (0.60) ADORA1ADORA2BADORA2AADORA3
SCHEMBL7939366 0.81 ADORA1 (0.51) ADORA1ADORA2BADORA2AADORA3
SCHEMBL3265408 0.77 ADORA1 (0.57) ADORA1ADORA2BADORA2AADORA3
SCHEMBL7939804 0.76 ADORA1 (0.60) ADORA1ADORA2BADORA2AADORA3
SCHEMBL3261148 0.74 ADORA1 (0.49) ADORA1ADORA2BADORA2AADORA3
SCHEMBL3310003 0.73 ADORA1 (0.82) ADORA1ADORA2BADORA2AADORA3

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-2010020366-A1 AZABICYCLIC SUBSTITUTED 5-AMINOPYRAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed