SCHEMBL9708624

SCHEMBL9708624

Cc1nc2c(c(=O)n(C)c(=O)n2CC(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
HPGD P15428 1/20 0.43
PDE5A O76074 8/20 0.41
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9708813 0.93 RAB9A (0.44) PDE1APDE1BPDE1CTSHRSMN1; SMN2
SCHEMBL9708505 0.91 ADORA3 (0.42)
SCHEMBL9708391 0.91 PDE1A (0.44) PDE1APDE1BPDE1CHPGDPDE5A
SCHEMBL9707553 0.90 PDE1A (0.43) PDE1APDE1BPDE1CPDE5ATSHR
SCHEMBL9707423 0.90 ADORA3 (0.42)
SCHEMBL9708256 0.90 HPGD (0.44) HPGD
SCHEMBL9707691 0.90 ADORA3 (0.42) PDE1APDE1BPDE1C
SCHEMBL9708711 0.89 ALOX15 (0.46) TSHRSMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL9708087 0.89 ADORA1 (0.38) PDE1APDE1BPDE1C
SCHEMBL9708265 0.89 DCTPP1 (0.41) PDE5AMEN1ALDH1A1KMT2A

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-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed