SCHEMBL7258019

SCHEMBL7258019

O=C1CCn2c(N3CCC4(CC3)NC(=O)C(Cc3ccccc3)NC4=O)nc3cccc1c32

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 19/20 0.39
PARP1 P09874 1/20 0.35

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
SCHEMBL7262730 0.84 OTUD7B (0.38) PARP1
SCHEMBL6631361 0.77 HDAC6 (0.46) PARP1
Hydrochloric Acid SCHEMBL6510289 0.77 HDAC6 (0.46)
SCHEMBL7262771 0.76 AVPR1A (0.43) PARP1
SCHEMBL6629960 0.72 PARP1 (0.36) PARP1
Hydrochloric Acid SCHEMBL6507301 0.72 PARP1 (0.35) PARP1
SCHEMBL6630805 0.70 PARP1 (0.43) PARP1
SCHEMBL6504752 0.69 MLYCD (0.39) PARP1
Hydrochloric Acid SCHEMBL6510200 0.69 PARP1 (0.42) PARP1
SCHEMBL7257208 0.69 GHSR (0.49) GHSR

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-2003104233-A1 4,5-DIHYDRO-IMIDAZO (4,5,1-IJ) QUINOLIN-6-ONES DERIVATIVES AND THEIR USE AS POLY (ADP-RIBOSYL) TRANSFERASE (PARP) INHIBITORS ALTANA PHARMA AG (DE) 2003-12-18 WO disclosed