SCHEMBL8590397

SCHEMBL8590397

COc1cccc(OC)c1-c1cc(N(C=O)C2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1cccc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 7/20 0.51
NTSR2 O95665 2/20 0.51
FPR3 P25089 1/20 0.51
GPR183 P32249 1/20 0.51
SORT1 Q99523 1/20 0.51
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ERN1 O75460 1/20 0.36
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL8591220 0.89 NTSR1 (0.45) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8395699 0.89 NTSR1 (0.66) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8590175 0.86 NTSR1 (0.44) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8591745 0.82 NTSR1 (0.43) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8590399 0.79 NTSR1 (0.80) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8589011 0.73 NTSR1 (0.51) NTSR1NTSR2FPR3GPR183SORT1
Reminertant SCHEMBL1650932 0.68 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8591222 0.67 NTSR1 (0.72) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9153323 0.67 NTSR1 (0.69) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9077529 0.65 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
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 US disclosed