SCHEMBL9688698

SCHEMBL9688698

O=C(c1ccccc1)c1cccn1CCI

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
ALOX12 P18054 1/20 0.66
KMT2A Q03164 1/20 0.66
TSHR P16473 3/20 0.50
GFER P55789 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9688818 0.83 RECQL (0.66) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL9688758 0.82 MAPT (0.46) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL9689136 0.82 NPC1 (0.54) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL9688742 0.82 LMNA (0.46) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL8807589 0.81 RECQL (0.67) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL8809336 0.80 RECQL (0.57) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL9689163 0.80 RECQL (0.43) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL9689185 0.80 SMN1; SMN2 (0.44) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL30543430 0.80 RECQL (0.65) RECQLLMNAMAPTMEN1ALDH1A1
SCHEMBL9526005 0.79 RECQL (0.70) RECQLLMNAMAPTMEN1ALDH1A1

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