SCHEMBL5736045

SCHEMBL5736045

CN(C)CCOc1ccccc1-c1noc(-c2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
ALDH1A1 P00352 5/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 4/20 0.63
TP53 P04637 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KDM4E B2RXH2 5/20 0.56
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
PTPN1 P18031 1/20 0.49
S1PR1 P21453 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 3/20 0.48
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL7957222 0.93 HTR7 (0.53) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7956454 0.91 HTR7 (0.52) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7954897 0.91 HTR7 (0.56) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7947658 0.90 SMN1; SMN2 (0.56) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
Irampanel SCHEMBL678128 0.90 HTR7 (0.63) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
Irampanel SCHEMBL6879876 0.89 HTR7 (0.62) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7956779 0.88 HTR7 (0.52) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7954876 0.88 SMN1; SMN2 (0.55) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7947522 0.87 HTR7 (0.51) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7947853 0.87 HTR7 (0.51) HTR7SMN1; SMN2ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934288-B1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-04 EP disclosed
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed
EP-0934288-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-08-11 EP disclosed
WO-1998017652-A1 OXADIAZOLES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-04-30 WO disclosed