SCHEMBL12874302

SCHEMBL12874302

CNCCc1cn(Cc2ccccc2)c2c(F)ccc(OCc3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.39
TAAR1 Q96RJ0 2/20 0.38
MAPK14 Q16539 5/20 0.38
KDM1A O60341 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CHRM1 P11229 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT1 Q99873 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL12874801 0.90 PTGER1 (0.37) PTGER1ALDH1A1PKMKDM4ELMNA
SCHEMBL12874797 0.89 CCR5 (0.40) PTGER1TAAR1ALDH1A1LMNAKMT2A
SCHEMBL1163144 0.85 HTR2A (0.48) PTGER1TAAR1MAPK14KDM1A
SCHEMBL1163138 0.79 HTR6 (0.53) PTGER1CHRM1KMT2A
SCHEMBL1163695 0.76 HTR2A (0.42) PTGER1KDM4EKMT2A
SCHEMBL3804876 0.76 HTR2A (0.48) TAAR1KDM1A
SCHEMBL1163366 0.75 HTR2A (0.43) PTGER1KMT2A
SCHEMBL16509893 0.74 HTR2A (0.47) TAAR1KDM1A
SCHEMBL3806838 0.74 HTR2A (0.47) TAAR1KDM1A
SCHEMBL1163361 0.74 HTR2A (0.42) PTGER1KDM1AALDH1A1

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-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed