SCHEMBL13769540

SCHEMBL13769540

CCOC(=O)Cn1cc(-c2ccccc2Cl)c2c(N3CC(NCC(F)F)C3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.40
CNR2 P34972 10/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 3/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.34

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
SCHEMBL13770196 0.86 MAPT (0.44) CNR1CNR2MAPTTP53POLB
SCHEMBL13769533 0.86 MAPT (0.44) CNR1CNR2MAPTTP53POLB
SCHEMBL13769679 0.84 CNR1 (0.49) CNR1CNR2MAPTTP53POLB
SCHEMBL13770135 0.82 MAPT (0.47) CNR1CNR2MAPTTP53POLB
SCHEMBL4006144 0.79 KMT2A (0.46) CNR1CNR2MAPTTP53POLB
SCHEMBL4006140 0.78 CNR1 (0.56) CNR1CNR2MAPTTP53POLB
SCHEMBL13769532 0.77 PDE4B (0.41) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL13769975 0.76 CNR1 (0.34) CNR1CNR2
SCHEMBL13769525 0.76 MAPT (0.40) CNR1CNR2MAPTTP53KDM4E
SCHEMBL13769677 0.75 MAPT (0.38) MAPTTP53KDM4ESMN1; SMN2ALDH1A1

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-2009080682-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed