SCHEMBL9689183

SCHEMBL9689183

O=C(c1cccs1)c1cccn1CCCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
TSHR P16473 4/20 0.44
HPGDS O60760 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.42
HDAC1 Q13547 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 4/20 0.41
DAO P14920 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9688864 0.85 TSHR (0.44) GSK3BTSHRHPGDSMEN1KMT2A
SCHEMBL9689246 0.85 TSHR (0.44) GSK3BTSHRHPGDSMEN1KMT2A
SCHEMBL9689262 0.77 CNR2 (0.36) GSK3BTSHRMEN1KMT2ALMNA
SCHEMBL9688754 0.77 RECQL (0.43) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL9689070 0.76 SMN1; SMN2 (0.48) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL9688818 0.76 RECQL (0.66) TSHRMEN1KMT2ALMNAALDH1A1
SCHEMBL9689245 0.76 HPGD (0.46) TSHRKMT2AALDH1A1NPC1RAB9A
SCHEMBL5216245 0.76 NPC1 (0.50) TSHRHPGDSMEN1KMT2ALMNA
SCHEMBL9689342 0.75 ALDH1A1 (0.43) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL9688824 0.73 TSHR (0.38) TSHRHPGDSMEN1KMT2ALMNA

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