SCHEMBL6953003

SCHEMBL6953003

C=CCOc1ccc(C2CCN(OC(=O)OC(C)(C)C)CC2OCc2ccc(SC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2A P28223 1/20 0.34
GAA P10253 1/20 0.33
YAP1 P46937 1/20 0.32
KDM1A O60341 1/20 0.32
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
REN P00797 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
AXL P30530 1/20 0.30

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
SCHEMBL6954131 0.88 PPARG (0.36) GPR119YAP1NPC1RAB9AALDH1A1
SCHEMBL6960968 0.87 GPR119 (0.40) GPR119SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL7081315 0.86 REN (0.45) REN
SCHEMBL6949602 0.86 GPR119 (0.39) GPR119KDM1ASMN1; SMN2NPC1RAB9A
SCHEMBL7080733 0.83 REN (0.45) YAP1KDM1AALDH1A1REN
SCHEMBL6043843 0.83 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR2AGAA
SCHEMBL6960306 0.81 REN (0.35) GPR119REN
SCHEMBL6956320 0.81 MEN1 (0.40) GPR119HTR2AGAAKDM1AMAPT
SCHEMBL27488575 0.79 REN (0.44) REN
SCHEMBL6954247 0.79 REN (0.42) HTR2AKDM1AALDH1A1REN

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed