SCHEMBL7556717

SCHEMBL7556717

COc1cccc(OC)c1-c1cc(C(=O)NC2(OC(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 7/20 0.81
NTSR2 O95665 1/20 0.81
FPR3 P25089 1/20 0.81
GPR183 P32249 1/20 0.81
SORT1 Q99523 1/20 0.81
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61

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
Reminertant SCHEMBL29376784 0.90 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
Reminertant SCHEMBL1650932 0.90 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL19026903 0.84 NTSR1 (0.87) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL17114634 0.84 NTSR1 (0.75) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL17114585 0.83 NTSR1 (0.75) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL17114586 0.82 NTSR1 (0.74) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL17114581 0.82 NTSR1 (0.74) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL17114540 0.81 NTSR1 (0.70) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8591555 0.81 NTSR1 (0.69) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL729750 0.81 NTSR1 (0.71) NTSR1NTSR2FPR3GPR183SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791524-B1 PHARMACEUTICAL COMPOSITION COMPRISING A SOLID DISPERSION WITH A POLYMER MATRIX CONTAINING A CONTINUOUS POLYDEXTROSE PHASE AND A CONTINUOUS PHASE OF A POLYMER OTHER THAN POLYDEXTROSE SANOFI SA (FR) 2014-11-19 EP claimed
EP-0858325-B1 STABLE FREEZE-DRIED PHARMACEUTICAL FORMULATION SANOFI SYNTHELABO (FR) 2002-07-31 EP claimed