SCHEMBL13619267

SCHEMBL13619267

COC(=O)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.67
DRD2 P14416 8/20 0.59
TBXA2R P21731 7/20 0.59
CCR2 P41597 1/20 0.58
KMT2A Q03164 1/20 0.56
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL12584506 0.89 F10 (0.54) F10DRD2TBXA2RCCR2KMT2A
SCHEMBL12585719 0.88 F10 (0.70) F10CCR2TP53MAPT
SCHEMBL13900117 0.85 F10 (0.68) F10CCR2TP53
SCHEMBL8358655 0.84 F10 (0.65) F10CCR2KMT2ATP53
SCHEMBL12900450 0.84 F10 (0.54) F10DRD2TBXA2RCCR2KMT2A
SCHEMBL12584514 0.83 F10 (0.52) F10DRD2TBXA2RKMT2AMAPT
SCHEMBL2480992 0.82 CCR2 (0.71) F10DRD2TBXA2RCCR2KMT2A
SCHEMBL12583929 0.82 MAPT (0.73) DRD2TBXA2RTP53MAPT
SCHEMBL2029011 0.80 DRD2 (0.73) DRD2TBXA2RTP53MAPT
Trifluoroacetic Acid SCHEMBL7717323 0.80 F10 (0.75) F10CCR2

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-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed