SCHEMBL8395699

SCHEMBL8395699

COc1cccc(OC)c1-c1cc(N(C=O)C2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 6/20 0.66
NTSR2 O95665 1/20 0.66
FPR3 P25089 1/20 0.66
GPR183 P32249 1/20 0.66
SORT1 Q99523 1/20 0.66
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8590397 0.89 NTSR1 (0.51) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8591220 0.84 NTSR1 (0.45) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8590175 0.82 NTSR1 (0.44) NTSR1NTSR2FPR3GPR183SORT1
Reminertant SCHEMBL29376784 0.79 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
Reminertant SCHEMBL1650932 0.79 NTSR1 (1.00) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8591745 0.77 NTSR1 (0.43) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL7556717 0.77 NTSR1 (0.81) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL9077529 0.77 NTSR1 (0.69) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL729750 0.76 NTSR1 (0.71) NTSR1NTSR2FPR3GPR183SORT1
SCHEMBL8591555 0.76 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955474-A ANTIEDEMA AGENTS OR DIURETIC ANTAGONIST SANOFI (FR) 1999-09-21 US claimed
US-5955474-A ANTIEDEMA AGENTS OR DIURETIC ANTAGONIST SANOFI (FR) 1999-09-21 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed