SCHEMBL7956779

SCHEMBL7956779

CN(C)CCOc1ccccc1-c1noc(-c2cccc(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.52
GRM5 P41594 1/20 0.51
S1PR1 P21453 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 2/20 0.48
S1PR3 Q99500 2/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7954876 0.89 SMN1; SMN2 (0.55) HTR7GRM5S1PR1SMN1; SMN2ALDH1A1
SCHEMBL7957222 0.89 HTR7 (0.53) HTR7S1PR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL5736045 0.88 HTR7 (0.63) HTR7S1PR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7947853 0.88 HTR7 (0.51) HTR7GRM5S1PR1SMN1; SMN2ALDH1A1
SCHEMBL7947522 0.88 HTR7 (0.51) HTR7S1PR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7954897 0.84 HTR7 (0.56) HTR7SMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL7956454 0.83 HTR7 (0.52) HTR7S1PR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7955292 0.83 TTR (0.55) HTR7S1PR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7962019 0.82 NPC1 (0.56) HTR7SMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL7947658 0.82 SMN1; SMN2 (0.56) HTR7S1PR1SMN1; SMN2ALDH1A1NPC1

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
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed