SCHEMBL9822880

SCHEMBL9822880

CCS(=O)(=O)c1cc2c(c(C(=O)NC(CC3CC3)C3CCCN3)c1)OC(C)C2

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.32

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
Hydrochloric Acid SCHEMBL9869193 0.99 PARP1 (0.32) PARP1
SCHEMBL9868152 0.89 PARP1 (0.32) PARP1
SCHEMBL9822959 0.84 DRD2 (0.30)
SCHEMBL10805518 0.84 PARP1 (0.35) PARP1
Hydrochloric Acid SCHEMBL10807994 0.84 BRD4 (0.37) PARP1
Hydrochloric Acid SCHEMBL9868759 0.83 BACE1 (0.31)
Hydrochloric Acid SCHEMBL10808419 0.83 BRD4 (0.36) PARP1
SCHEMBL10851009 0.83 CA2 (0.36) PARP1
SCHEMBL10812102 0.82 PARP1 (0.32) PARP1
Hydrochloric Acid SCHEMBL10810418 0.82 PARP1 (0.32) PARP1

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