SCHEMBL9051316

SCHEMBL9051316

COc1cccc(NC(=O)N2CCc3cc4c(ccn4C)cc32)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.69
NPC1 O15118 5/20 0.69
MAPT P10636 3/20 0.69
HTR2C P28335 2/20 0.69
MAPK1 P28482 2/20 0.69
PKM P14618 2/20 0.69
TP53 P04637 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
HTR2A P28223 1/20 0.69
CHRNA7 P36544 1/20 0.69
THPO P40225 1/20 0.69
HTR2B P41595 1/20 0.69
KMT2A Q03164 1/20 0.69
HIF1A Q16665 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.68

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
SCHEMBL9051246 0.87 HTR2C (0.70) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL9052562 0.85 NPC1 (0.68) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL9116372 0.85 HTR2C (0.68) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL9052878 0.85 NPC1 (0.68) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL9053646 0.84 HTR2C (0.67) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL9052182 0.83 MAPT (0.62) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL9051767 0.83 ALDH1A1 (0.64) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL29462346 0.82 HTR2C (1.00) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL29369443 0.82 HTR2C (1.00) RAB9ANPC1MAPTHTR2CMAPK1
SCHEMBL1459242 0.82 HTR2C (1.00) RAB9ANPC1MAPTHTR2CMAPK1

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-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 EP claimed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO claimed
EP-0743946-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1996-11-27 EP disclosed
WO-1995021844-A1 5HT2B RECEPTOR ANTAGONISTS CONDENSED INDOLES SMITHKLINE BEECHAM PLC (GB) 1995-08-17 WO disclosed