SCHEMBL14540971

SCHEMBL14540971

O=C1CC2(CCN(C(=O)N3CCC[C@H](NC(=O)C45CC6CC(C4)C(O)[C@H](C6)C5)C3)CC2)CN1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
CCR2 P41597 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
CNR2 P34972 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL4769808 1.00 EPHX1 (0.36) EPHX1CCR2SMN1; SMN2LMNANPSR1
SCHEMBL4769795 1.00 EPHX1 (0.36) EPHX1CCR2SMN1; SMN2LMNANPSR1
SCHEMBL14540867 0.84 EPHX1 (0.46) EPHX1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL4794135 0.84 EPHX1 (0.46) EPHX1SMN1; SMN2LMNANPSR1KMT2A
Hydrochloric Acid SCHEMBL4777658 0.83 EPHX1 (0.38) EPHX1CCR2SMN1; SMN2LMNANPSR1
SCHEMBL4778533 0.83 F2R (0.38) EPHX1CCR2SMN1; SMN2LMNANPSR1
SCHEMBL4835577 0.83 F2R (0.38) EPHX1CCR2SMN1; SMN2LMNANPSR1
SCHEMBL14540692 0.83 F2R (0.38) EPHX1CCR2SMN1; SMN2LMNANPSR1
SCHEMBL4793633 0.83 EPHX1 (0.45) EPHX1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL4769678 0.82 EPHX1 (0.39) EPHX1SMN1; SMN2LMNANPSR1ITGB3

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-2007038138-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-04-05 WO disclosed