SCHEMBL5169155

SCHEMBL5169155

O=C=NC1(c2ccc(F)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.39
CCR1 P32246 1/20 0.38
OPRM1 P35372 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GPR183 P32249 2/20 0.34
S1PR2 O95136 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
RORC P51449 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL15190270 0.87 HSD11B1 (0.41) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2770815 0.81 OPRM1 (0.47) HSD11B1OPRM1DRD2
SCHEMBL3905826 0.80 RORC (0.52) CYP2C19RORCOPRD1OPRK1
SCHEMBL26927960 0.78 SLC6A3 (0.41) HSD11B1RORC
SCHEMBL4728073 0.75 HSD11B1 (0.44) HSD11B1CCR1OPRM1DRD2DRD4
SCHEMBL4725181 0.75 OPRM1 (0.55) CCR1OPRM1DRD2DRD4DRD3
SCHEMBL11098473 0.74 MEN1 (0.34) HSD11B1
SCHEMBL3790649 0.74 KMT2A (0.51) HSD11B1OPRM1S1PR2CYP2C19
SCHEMBL2428794 0.74 CA12 (0.50) OPRM1OPRD1
Hydrochloric Acid SCHEMBL3428799 0.73 OPRM1 (0.52) CCR1OPRM1DRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773823-B1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-08-21 EP disclosed
EP-1773823-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-18 EP disclosed
WO-2006021654-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-03-02 WO disclosed