SCHEMBL16655739

SCHEMBL16655739

CC/C(C(N)=O)=C(\c1ccccc1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
BLM P54132 1/20 0.42
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRD1 P41143 4/20 0.40
SLC6A4 P31645 1/20 0.39
PARP1 P09874 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
OPRM1 P35372 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL18921779 0.81 SIGMAR1 (0.57) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL16655743 0.78 SIGMAR1 (0.53) SIGMAR1BLMPOLBUSP2ALDH1A1
SCHEMBL16655922 0.73 SLC6A4 (0.41) SIGMAR1TSHROPRD1SLC6A4OPRM1
SCHEMBL18921784 0.72 SIGMAR1 (0.57) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL2110125 0.72 SIGMAR1 (0.56) SIGMAR1BLMPOLBUSP2ALDH1A1
SCHEMBL28817771 0.72 SIGMAR1 (0.59) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL16656002 0.71 SIGMAR1 (0.55) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL16655998 0.70 SIGMAR1 (0.54) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL28393 0.70 SIGMAR1 (1.00) SIGMAR1BLMPOLBUSP2ALDH1A1
SCHEMBL894920 0.70 SIGMAR1 (1.00) SIGMAR1BLMPOLBUSP2ALDH1A1

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-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 WO disclosed