SCHEMBL27355403

SCHEMBL27355403

COc1cc2c(Cc3ccccc3)nc(N)nc2c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.49
MPO P05164 1/20 0.42
DHPS P49366 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.40

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
SCHEMBL27362354 0.89 PDE5A (0.51) PDE5A
SCHEMBL27447268 0.89 PDE5A (0.50) PDE5A
SCHEMBL27620033 0.89 PDE5A (0.50) PDE5A
SCHEMBL27447274 0.88 DHFR (0.49) PDE5A
SCHEMBL27357114 0.88 PDE5A (0.53) PDE5AMPO
SCHEMBL27383523 0.87 PDE5A (0.40) PDE5AADORA2A
SCHEMBL27364614 0.86 PDE5A (0.38) PDE5AADORA2A
SCHEMBL27355412 0.84 SMN1; SMN2 (0.43) PDE5A
SCHEMBL27377308 0.83 TUBB4A (0.44) PDE5A
SCHEMBL27363427 0.83 PDE10A (0.42) PDE5A

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
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN disclosed