SCHEMBL1735352

SCHEMBL1735352

COc1ccc(-c2cnc(Nc3ccc(CCN4CCC[C@@H](OC(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD3 P35462 1/20 0.43
LTA4H P09960 1/20 0.43
AVPR1B P47901 1/20 0.43
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
CCR3 P51677 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
DGAT1 O75907 1/20 0.41
CSF1R P07333 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40

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
SCHEMBL1736528 1.00 CHRM5 (0.43) CHRM5CHRM1CHRM3DRD3LTA4H
SCHEMBL1735437 0.91 KDM4E (0.49) EGFRITKHRH3KMT2AKDM4E
SCHEMBL1735361 0.90 OPRM1 (0.44) CHRM5CHRM1CHRM3LTA4HHRH3
SCHEMBL1735308 0.88 DRD3 (0.51) DRD3MEN1KMT2AKDM4E
SCHEMBL1735305 0.88 DRD3 (0.51) DRD3MEN1KMT2AKDM4E
SCHEMBL1734298 0.87 DRD3 (0.48) DRD3LTA4HCCR3HRH3CSF1R
SCHEMBL1735428 0.86 HRH3 (0.45) CHRM5CHRM1CHRM3HRH3DGAT1
SCHEMBL1735370 0.86 JAK2 (0.44) EGFRITKHRH3KDM4EFLT3
SCHEMBL13605487 0.84 DRD3 (0.44) DRD3LTA4HMEN1KMT2A
SCHEMBL13605442 0.83 LMNA (0.59) DRD3KDM4ELMNAGLASMN1; SMN2

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
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP claimed