SCHEMBL7671301

SCHEMBL7671301

O=C1OC(c2ccc3ccccc3c2)=NC1=CN1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
ALOX5 P09917 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TP53 P04637 4/20 0.45
HTR2B P41595 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
NPY5R Q15761 3/20 0.43
HTR3A P46098 1/20 0.43
MAPT P10636 3/20 0.42
KIT P10721 2/20 0.41
TRPC3 Q13507 1/20 0.41
KDM4E B2RXH2 3/20 0.40

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
SCHEMBL7671299 1.00 RAB9A (0.46) RAB9ASMN1; SMN2NPC1ALOX5MEN1
SCHEMBL7667639 0.89 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7667633 0.89 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7661071 0.89 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7661061 0.89 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7672365 0.87 RAB9A (0.49) RAB9ASMN1; SMN2NPC1ALOX5MEN1
SCHEMBL7672362 0.87 RAB9A (0.49) RAB9ASMN1; SMN2NPC1ALOX5MEN1
SCHEMBL7669169 0.87 OGA (0.52) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7669163 0.87 OGA (0.52) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7667849 0.87 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed