SCHEMBL3550241

SCHEMBL3550241

CCCn1cc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(CC)CCO)ccc3OCC)nc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
PDE5A O76074 14/20 0.52
ALDH1A1 P00352 2/20 0.51
PDE1A P54750 2/20 0.49
PDE1B Q01064 2/20 0.49
PDE1C Q14123 2/20 0.49
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL3027970 0.97 POLB (0.61) POLBPDE5AALDH1A1PDE1APDE1B
SCHEMBL3388828 0.95 POLB (0.59) POLBPDE5AALDH1A1PDE1APDE1B
SCHEMBL3552285 0.91 ALDH1A1 (0.59) POLBPDE5AALDH1A1PDE1APDE1B
SCHEMBL13348812 0.85 PDE5A (0.55) PDE5APDE1APDE1BPDE1C
SCHEMBL3012296 0.84 PDE5A (0.55) PDE5APDE1APDE1BPDE1C
SCHEMBL3027973 0.82 PDE5A (0.62) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL3026814 0.81 PDE5A (0.63) PDE5APDE1APDE1BPDE1C
SCHEMBL3027989 0.81 PDE5A (0.53) PDE5APDE1APDE1BPDE1C
SCHEMBL3547443 0.81 PDE5A (0.57) PDE5APDE1APDE1BPDE1C
SCHEMBL3031282 0.81 PDE5A (0.66) PDE5APDE1APDE1BPDE1C

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-7745433-B2 2-Substituted phenyl-5, 7-dihydrocarbyl-3, 7-dihydropyrrolo [2, 3-D] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof Yangtze River Pharmacuetical (Group) Co., Ltd. (CN) 2010-06-29 US claimed