SCHEMBL7084978

SCHEMBL7084978

C=C1CC(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 1/20 0.50
RORC P51449 2/20 0.49
NPY2R P49146 1/20 0.49
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
NPY5R Q15761 5/20 0.48
REV1 Q9UBZ9 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4940429 1.00 MAPT (0.51) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4942276 0.86 NPSR1 (0.53) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4943227 0.86 RORC (0.54) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL5735506 0.86 MAPT (0.48) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4939781 0.86 MAPT (0.48) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL5475200 0.84 NPY2R (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4944158 0.84 NPY2R (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4944161 0.84 NPY2R (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4945448 0.83 NPSR1 (0.50) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL4944102 0.82 MAPT (0.50) MAPTLMNANPSR1ALDH1A1HPGD

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-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed