SCHEMBL5728535

SCHEMBL5728535

N#Cc1ccsc1CCCl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL27667806 0.80 RAB9A (0.36) RAB9ASMN1; SMN2POLBKMT2AMEN1
SCHEMBL5728796 0.80 RAB9A (0.39) RAB9ASMN1; SMN2POLBKMT2AMEN1
SCHEMBL27474774 0.76 HSD17B10 (0.40) RAB9ASMN1; SMN2POLBKMT2AMEN1
SCHEMBL4769454 0.75 POLB (0.34) RAB9ASMN1; SMN2POLBKMT2AMEN1
SCHEMBL7426785 0.75
SCHEMBL2088397 0.75
SCHEMBL14230450 0.75
SCHEMBL9521381 0.74 RAB9A (0.48) RAB9ASMN1; SMN2POLBKMT2AMEN1
SCHEMBL17260795 0.71 POLB (0.35) RAB9ASMN1; SMN2POLBKMT2AMEN1
SCHEMBL23199527 0.69 RAB9A (0.40) RAB9ASMN1; SMN2POLBKMT2AMEN1

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
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed