SCHEMBL5877934

SCHEMBL5877934

Cc1ccc2nc(CCc3ccccc3)n(CC3CCCC(CN)C3)c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.41
DHFR P00374 1/20 0.41
P2RX3 P56373 2/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL5877634 0.89 CASR (0.45) GHSRPDE1APDE1BPDE1C
SCHEMBL5877140 0.88 ALDH1A1 (0.46) PDE1APDE1BPDE1C
SCHEMBL5877477 0.88 ADORA3 (0.45) GHSRPDE1APDE1BPDE1C
SCHEMBL5877626 0.84 ABCC1 (0.52) GHSR
SCHEMBL5878284 0.84 EGFR (0.45) PDE1APDE1BPDE1C
SCHEMBL5877732 0.82 ABCC1 (0.52) GHSR
SCHEMBL5877867 0.82 GHSR (0.54) GHSR
SCHEMBL5877811 0.81 ABCC1 (0.46) GHSR
SCHEMBL5876953 0.81 ABCC1 (0.50) GHSR
SCHEMBL5877929 0.80 CYP2D6 (0.42) GHSRDHFR

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
US-7060706-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed