SCHEMBL6595196

SCHEMBL6595196

CCOC(=O)C1CCN(C(=O)c2ccccc2)C1c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
SIRT3 Q9NTG7 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MDM2 Q00987 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
CCR5 P51681 1/20 0.38

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
SCHEMBL6592451 0.87 KMT2A (0.47) TSHRRECQLSMN1; SMN2MEN1KMT2A
SCHEMBL6592801 0.85 LMNA (0.39) CNR2MAPTPKMMDM2MEN1
SCHEMBL2583648 0.82 CNR2 (0.46) CNR2TSHRSMN1; SMN2KDM4EMEN1
SCHEMBL18532593 0.82 CNR2 (0.46) CNR2TSHRSMN1; SMN2KDM4EMEN1
SCHEMBL20426003 0.82 CNR2 (0.46) CNR2TSHRSMN1; SMN2KDM4EMEN1
SCHEMBL2564896 0.82 CNR2 (0.46) CNR2TSHRSMN1; SMN2KDM4EMEN1
SCHEMBL6592432 0.76 TLR2 (0.44) SIRT3SMN1; SMN2MAPTPKMCCR5
Oxalic Acid SCHEMBL30495310 0.76 CNR2 (0.44) CNR2TSHRSMN1; SMN2MAPTPKM
SCHEMBL18532605 0.76 CNR2 (0.43) CNR2TSHRSMN1; SMN2KDM4EMEN1
SCHEMBL18790107 0.76 CNR2 (0.43) CNR2TSHRSMN1; SMN2KDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189883-B1 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS AVENTIS PHARMA LTD (GB) 2004-11-03 EP disclosed
EP-1189883-A2 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS Aventis Pharma Limited (GB) 2002-03-27 EP disclosed
WO-2000068195-A2 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 2000-11-16 WO disclosed