SCHEMBL9689195

SCHEMBL9689195

CCCCc1coc(C(=O)c2cccn2CCBr)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CNR2 P34972 4/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL9687956 0.89 CASP3 (0.35) CASP3SENP8SENP7SENP6CNR2
SCHEMBL9689827 0.89 CASP3 (0.35) CASP3SENP8SENP7SENP6CNR2
SCHEMBL9689312 0.83 CASP3 (0.34) CASP3SENP8SENP7SENP6CNR2
SCHEMBL9688728 0.83 MAPK1 (0.38) CASP3SENP8SENP7SENP6CNR2
SCHEMBL9734727 0.81 CASP3 (0.31) CASP3SENP8SENP7SENP6CNR2
SCHEMBL9688805 0.74 ALDH1A1 (0.44) CNR2THRBALDH1A1MEN1LMNA
SCHEMBL9688839 0.70 SMN1; SMN2 (0.44) CNR2ALDH1A1MEN1LMNAMAPT
SCHEMBL12493344 0.70 CNR2 (0.49) CNR2ALDH1A1MEN1LMNAMAPT
SCHEMBL9689936 0.69 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10TUBB4ATUBB
SCHEMBL543285 0.68 CNR2 (0.38) CNR2ALDH1A1MEN1LMNAMAPT

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