SCHEMBL9822894

SCHEMBL9822894

CNS(=O)(=O)c1cc2c(c(C(=O)NC(C)(C3=CCCCC3)C3CCCN3)c1)OC(C)C2

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.30

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
SCHEMBL9822741 0.88
Methane SCHEMBL9867060 0.88
SCHEMBL9822832 0.87
SCHEMBL9866796 0.87
SCHEMBL9822700 0.87 PARP1 (0.32) PARP1
SCHEMBL9877850 0.82 PARP1 (0.32) PARP1
SCHEMBL11116671 0.81 PARP1 (0.32) PARP1
SCHEMBL9822687 0.77 CNR1 (0.30)
SCHEMBL9822902 0.75 ALDH1A1 (0.31)
SCHEMBL10368616 0.74

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231139-B1 DIHYDROBENZOFURANE AND CHROMANE CARBOXAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS NEUROLEPTICS Laboratoires DELAGRANGE (FR) 1991-12-04 EP claimed
US-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed