SCHEMBL1732042

SCHEMBL1732042

CCc1ccc2c(n1)C(=N)N(CC(=O)c1ccc(OCC(=O)O)c(C(C)(C)C)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
F2R P25116 6/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.32
ITGB3 P05106 5/20 0.31
ITGA2B P08514 5/20 0.31
RBP4 P02753 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Bromide SCHEMBL5481823 0.99 PTGDR2 (0.40) PTGDR2F2RMEN1KMT2ATHRA
Trifluoroacetic Acid SCHEMBL1731674 0.96 PTGDR2 (0.38) PTGDR2F2RMEN1KMT2ATHRA
Bromide SCHEMBL1729755 0.91 THRA (0.39) PTGDR2F2RMEN1KMT2ATHRA
SCHEMBL1729531 0.89 F2R (0.38) F2RTHRATHRBKDM4EMAPT
Hydrochloric Acid SCHEMBL1729541 0.89 PTGDR2 (0.41) PTGDR2F2RMEN1KMT2ATHRA
Bromide SCHEMBL5490645 0.88 F2R (0.39) F2RTHRATHRBKDM4EMAPT
SCHEMBL1731680 0.88 F2R (0.35) F2RTHRATHRBKDM4EMAPT
Bromide SCHEMBL7612595 0.88 F2R (0.46) F2RMEN1KMT2AKDM4EMAPT
Bromide SCHEMBL1729677 0.86 F2R (0.46) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL5482791 0.86 F2R (0.43) F2RMEN1KMT2AKDM4EMAPT

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-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed