SCHEMBL1979837

SCHEMBL1979837

NC(=O)c1ccc(OCCCN2CC[C@@H]3CCC[C@H]32)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.68
PARP10 Q53GL7 6/20 0.51
PARP15 Q460N3 4/20 0.51
PARP2 Q9UGN5 2/20 0.51
MAOB P27338 1/20 0.47
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL1983095 1.00 HRH3 (0.68) HRH3PARP10PARP15PARP2MAOB
SCHEMBL1976489 0.89 HRH3 (0.59) HRH3PARP10PARP15PARP2MAOB
SCHEMBL1976491 0.89 HRH3 (0.59) HRH3PARP10PARP15PARP2MAOB
SCHEMBL1976486 0.89 HRH3 (0.59) HRH3PARP10PARP15PARP2MAOB
SCHEMBL1976942 0.89 HRH3 (0.73) HRH3PARP10PARP15PARP2MAOB
SCHEMBL1976941 0.89 HRH3 (0.73) HRH3PARP10PARP15PARP2MAOB
SCHEMBL1976944 0.89 HRH3 (0.73) HRH3PARP10PARP15PARP2MAOB
Hydrochloric Acid SCHEMBL13583122 0.88 HRH3 (0.58) HRH3PARP10PARP15PARP2MAOB
Hydrochloric Acid SCHEMBL13583125 0.88 HRH3 (0.58) HRH3PARP10PARP15PARP2MAOB
Hydrochloric Acid SCHEMBL13583120 0.88 HRH3 (0.58) HRH3PARP10PARP15PARP2MAOB

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-2011070251-A1 NOVEL HEXAHYDROCYCLOPENTA[B]PYRROL DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-06-16 WO disclosed