SCHEMBL8046600

SCHEMBL8046600

O=C(O)C(CCCc1ccsc1)(c1ccccc1)[PH](=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.41
GRM3 Q14832 3/20 0.41
NAAA Q02083 1/20 0.36
RAB9A P51151 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32

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
SCHEMBL8059153 0.96 GRM2 (0.40) GRM2GRM3NAAARAB9ATAAR1
SCHEMBL8059180 0.92 GRM2 (0.45) GRM2GRM3NAAATAAR1OPRM1
SCHEMBL8058563 0.84 GRM2 (0.39) GRM2GRM3OPRM1OPRD1OPRK1
SCHEMBL7644315 0.81 GRM2 (0.44) GRM2GRM3RAB9ASLC6A3MAPT
SCHEMBL8046498 0.76 TBXAS1 (0.50) L3MBTL1
SCHEMBL7633968 0.75 KIF11 (0.43) NAAARAB9AOPRM1L3MBTL1MAPT
SCHEMBL7639980 0.74 GAA (0.41) NAAARAB9AOPRM1
SCHEMBL8058443 0.72 TBXAS1 (0.52) L3MBTL1
SCHEMBL8058494 0.72 CYP2C19 (0.40) RAB9ATAAR1POLB
SCHEMBL8058495 0.70 SMN1; SMN2 (0.40) RAB9AGPR52MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed