SCHEMBL9052878

SCHEMBL9052878

Cn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
HTR2C P28335 3/20 0.68
MAPT P10636 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
HTR2A P28223 2/20 0.68
TP53 P04637 2/20 0.68
PKM P14618 2/20 0.68
KDM4E B2RXH2 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
MAPK1 P28482 1/20 0.68
CHRNA7 P36544 1/20 0.68
THPO P40225 1/20 0.68
HTR2B P41595 1/20 0.68
HIF1A Q16665 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.67

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
SCHEMBL8616711 0.87 NPC1 (0.60) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL9052182 0.86 MAPT (0.62) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL9051246 0.86 HTR2C (0.70) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL9051316 0.85 RAB9A (0.69) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL9052562 0.84 NPC1 (0.68) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL9116372 0.84 HTR2C (0.68) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL9053646 0.83 HTR2C (0.67) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL9053122 0.83 MEN1 (0.52) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL29369443 0.81 HTR2C (1.00) NPC1RAB9AHTR2CMAPTMEN1
SCHEMBL1459242 0.81 HTR2C (1.00) NPC1RAB9AHTR2CMAPTMEN1

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