SCHEMBL9857776

SCHEMBL9857776

CCOc1ccccc1C(=O)N1CC[N]CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.71
NOD2 Q9HC29 1/20 0.63
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TSHR P16473 4/20 0.59
RAB9A P51151 1/20 0.59
HTT P42858 3/20 0.58
CHRM2 P08172 1/20 0.58
CHRM3 P20309 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
ALOX15 P16050 1/20 0.52

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
SCHEMBL11715064 0.90 NPSR1 (0.81) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL17502633 0.87 NPSR1 (0.76) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL18051872 0.85 NPSR1 (0.74) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL9579269 0.84 HTT (0.72) LMNATSHRHTTKDM4EALDH1A1
SCHEMBL1520673 0.83 NPSR1 (1.00) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL17946045 0.81 NPSR1 (0.67) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL31237176 0.77 NPSR1 (0.83) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL10726709 0.77 NPSR1 (0.62) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL15309109 0.76 NPSR1 (0.60) NPSR1NOD2LMNASMN1; SMN2TSHR
SCHEMBL17502615 0.75 NPSR1 (0.60) NPSR1NOD2LMNASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed