SCHEMBL7809985

SCHEMBL7809985

COc1ccc(COc2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
APP P05067 7/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL7803673 0.93 TAAR1 (0.41) NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7812632 0.91 NPC1 (0.40) MAOBNPC1RAB9ATAAR1
SCHEMBL7808755 0.90 TAAR1 (0.47) MAOBTAAR1
SCHEMBL7812409 0.90 MEN1 (0.40) NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7810550 0.90 MAPT (0.43) NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7809030 0.89 TAAR1 (0.46) MAOBAPPTAAR1
SCHEMBL7810243 0.87 MRGPRX4 (0.38) TAAR1
SCHEMBL7815858 0.83 TAAR1 (0.37) NPC1POLBRAB9ASMN1; SMN2TAAR1
SCHEMBL7812430 0.83 TAAR1 (0.37) SMN1; SMN2TAAR1
SCHEMBL7803592 0.83 LTA4H (0.41) NPC1POLBRAB9ASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553623-B1 An oxazoline derivative its production and its use SUMITOMO CHEMICAL CO (JP) 2001-04-04 EP disclosed
US-5556867-A INSECTICIDES AND MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0553623-A1 An oxazoline derivative its production and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-04 EP disclosed