SCHEMBL543106

SCHEMBL543106

COc1cccc(OC)c1-c1[nH]nc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)c1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 6/20 0.61
NTSR2 O95665 1/20 0.61
FPR3 P25089 1/20 0.61
GPR183 P32249 1/20 0.61
SORT1 Q99523 1/20 0.61
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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 SCHEMBL1650932 0.76 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
Reminertant SCHEMBL29376784 0.76 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL19026903 0.70 NTSR1 (0.87) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9078221 0.67 NTSR1 (0.75) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL7556717 0.66 NTSR1 (0.81) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8395699 0.66 NTSR1 (0.66) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8590399 0.66 NTSR1 (0.80) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL17114634 0.63 NTSR1 (0.75) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9082598 0.62 NTSR1 (0.43) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9153323 0.62 NTSR1 (0.69) 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-2413970-A2 New therapeutic approaches for treating neuroinflammatory conditions Pharnext (FR) 2012-02-08 EP disclosed
WO-2010115741-A2 NEW THERAPEUTIC APPROACHES FOR TREATING NEUROINFLAMMATORY CONDITIONS PHARNEXT (FR) 2010-10-14 WO disclosed