SCHEMBL13192046

SCHEMBL13192046

O=C(OCc1ccccc1)N1CC2NCC21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.56
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
AGTR2 P50052 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C19 P33261 1/20 0.45
PARP1 P09874 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 2/20 0.45

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
SCHEMBL30587258 0.90 HTR2C (0.51) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL30065232 0.86 SMN1; SMN2 (0.51) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL928649 0.86 HTR2C (0.50) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL22537068 0.79 HTR2C (0.53) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3335937 0.77 SMN1; SMN2 (0.52) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL286830 0.77 HTR2C (0.51) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL15409979 0.77 HTR2C (0.51) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL1795685 0.77 SMN1; SMN2 (0.52) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3822619 0.77 SMN1; SMN2 (0.52) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL5517077 0.76 HTR2C (0.64) HTR2CPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed