SCHEMBL5736286

SCHEMBL5736286

CN1CCN(c2ccccc2-c2noc(-c3ccccc3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NR1H4 Q96RI1 2/20 0.49
S1PR1 P21453 1/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
MAPK1 P28482 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DHFR P00374 1/20 0.44
HRH4 Q9H3N8 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
SCHEMBL7961623 0.89 MAPT (0.62) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17987100 0.77 HTR1A (0.62) MAPTMAPK1KMT2ADHFRHRH4
SCHEMBL5734895 0.73 HTR7 (0.61) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7966843 0.72 CYP2D6 (0.63) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28925303 0.70 SMN1; SMN2 (0.77) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13606307 0.68 CASP3 (0.77) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11487507 0.68 BCHE (0.81) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1473020 0.68 NR1H4 (1.00) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8266808 0.68 ADRA2C (0.57) MAPTMAPK1KMT2ADHFRHRH4
SCHEMBL14355733 0.68 KMT2A (0.54) MAPTALDH1A1L3MBTL1MAPK1KDM4E

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