SCHEMBL5741557

SCHEMBL5741557

O=C1CC(C(=O)N2CCC(O)CC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
FASN P49327 3/20 0.48
GRM5 P41594 1/20 0.46
NAMPT P43490 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MGLL Q99685 2/20 0.43
HSD11B1 P28845 1/20 0.43
HTR2B P41595 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 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
SCHEMBL5741564 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL5745251 0.87 AVPR1A (0.46) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL5742551 0.87 HPGD (0.46) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL5741758 0.82 CA12 (0.47) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL5741756 0.82 CA12 (0.47) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL4942034 0.82 OXTR (0.58) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL4942028 0.82 OXTR (0.58) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL5481224 0.81 HPGD (0.46) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL8159195 0.78 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL5742550 0.78 MKNK1 (0.46) ALDH1A1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP claimed