SCHEMBL14618672

SCHEMBL14618672

CCOC(=O)c1cnc2c(CN(C)C)cc(Br)cc2c1NCc1ccc(OC)c(CI)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.55
▸ MAPT P10636 9/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ PDE6D O43924 1/20 0.47
▸ PDE6A P16499 1/20 0.47
▸ PDE6G P18545 1/20 0.47
▸ PDE6B P35913 1/20 0.47
▸ PDE6C P51160 1/20 0.47
▸ PDE6H Q13956 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4989485 0.91 PDE5A (0.68) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL4991681 0.81 PDE5A (0.70) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL4987622 0.81 PDE5A (0.70) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL4986260 0.79 PDE5A (0.68) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL7162084 0.78 PDE5A (0.69) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL7159439 0.78 PDE5A (0.68) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
Dimethylamine SCHEMBL4989501 0.77 PDE5A (0.67) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL7160506 0.76 PDE5A (0.65) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL14533923 0.75 PDE5A (0.80) PDE5AMAPTSMN1; SMN2KDM4EPDE6D
SCHEMBL10193485 0.73 PDE5A (0.63) PDE5AMAPTSMN1; SMN2KDM4EPDE6D

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-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
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