SCHEMBL13617949

SCHEMBL13617949

COC(=O)[C@H](Cc1c[nH]cn1)N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.35
PADI1 Q9ULC6 2/20 0.34
PADI4 Q9UM07 2/20 0.34
P4HB P07237 3/20 0.33
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC6A4 P31645 2/20 0.32
HTR3A P46098 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR7 P34969 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
SCHEMBL14375271 0.85 GAA (0.38) MEN1KMT2A
SCHEMBL27593612 0.84 LMNA (0.37) OPRD1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL3838880 0.84 LMNA (0.37) OPRD1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL8363717 0.80 CPB2 (0.45) ALDH1A1
SCHEMBL3843654 0.80 OPRD1 (0.35) OPRD1OPRM1SLC6A4SLC6A2SLC6A3
SCHEMBL3085673 0.79 ALDH1A1 (0.36) KMT2AALDH1A1
SCHEMBL17233692 0.78 KMT2A (0.35) MEN1KMT2AALDH1A1
SCHEMBL17525712 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4622374 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL12199033 0.75 ALDH1A1 (0.35) ALDH1A1

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-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed