SCHEMBL9689136

SCHEMBL9689136

COc1ccc(C(=O)c2cccn2CCI)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 3/20 0.50
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL9690056 0.86 RAB9A (0.54) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL9689326 0.86 NPC1 (0.54) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL9688698 0.82 RECQL (0.66) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL9687969 0.81 NPC1 (0.52) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL2723083 0.80 PPARG (0.57) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL6957332 0.79 RAB9A (0.50) NPC1RAB9ALMNAALDH1A1ALOX15
SCHEMBL9688014 0.79 NPC1 (0.47) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL9688742 0.78 LMNA (0.46) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL9688851 0.76 NPSR1 (0.48) NPC1RAB9ALMNAPPARGPPARA
SCHEMBL9689185 0.76 SMN1; SMN2 (0.44) NPC1RAB9ALMNAALDH1A1MEN1

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
EP-0486807-A1 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-05-27 EP disclosed
US-5082951-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed