SCHEMBL8482001

SCHEMBL8482001

O=C(O)C1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
AGTR2 P50052 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR2C P28335 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PREP P48147 1/20 0.45

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
SCHEMBL8477063 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL8478003 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL8477065 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL8481499 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL8479641 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL28831818 0.90 AGTR2 (0.48) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL4804145 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL4804141 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL4804132 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APOLBCYP2C19
SCHEMBL3825810 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APOLBCYP2C19

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-5942537-A ADMINISTERING A L-TRANS PYRROLIDINE DERIVATIVE TO INHIBIT THE TRANSPORT OF L-GLUTAMATE OR L-ASPARTATE OR AN EXCITATORY AMINO ACID NEUROTRANSMITTER AWAY FROM A SYNAPSE COMPRISING CONTACTING SYNAPSE WITH PYRROLIDINE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-08-24 US disclosed
EP-0497895-A1 METHOD OF INHIBITING THE TRANSPORT OF L-GLUTAMATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-08-12 EP disclosed
WO-1991006536-A1 METHOD OF INHIBITING THE TRANSPORT OF L-GLUTAMATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-05-16 WO disclosed