SCHEMBL9689996

SCHEMBL9689996

CCc1ccsc1C(=O)c1cccn1CCC1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MDM2 Q00987 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9688824 0.84 TSHR (0.38) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL9792298 0.84 GLA (0.32) GLANPSR1MDM2
SCHEMBL9689213 0.82 KMT2A (0.39) GLANPSR1
SCHEMBL8812100 0.81 RECQL (0.50) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL9690069 0.80 MEN1 (0.34) GLANPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL9688851 0.78 NPSR1 (0.48) GLANPSR1
SCHEMBL9689783 0.78 TSHR (0.36) GLANPSR1CYP1A2CYP3A4TSHR
SCHEMBL9689705 0.78 MAPT (0.35) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL9689262 0.78 CNR2 (0.36) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL9689866 0.78 MAPT (0.35) CYP1A2CYP3A4CYP2D6TSHRCYP2C19

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