SCHEMBL5205418

SCHEMBL5205418

COc1cc(-c2cc(CN(CCO[Si](C)(C)C(C)(C)C)[C@@H](Cc3ccccc3)C(N)=O)ccn2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CASR P41180 9/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
LPAR1 Q92633 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
SCHEMBL5202589 0.89 AAK1 (0.32) LMNAGAATSHRSMN1; SMN2NPSR1
SCHEMBL5202421 0.87 EGFR (0.33) LMNAGAATSHRSMN1; SMN2NPSR1
SCHEMBL5201979 0.85 LOXL2 (0.33) LMNAGAATSHRSMN1; SMN2NPSR1
SCHEMBL5201228 0.85 LOXL2 (0.33) LMNAGAATSHRSMN1; SMN2NPSR1
SCHEMBL5200328 0.80 HCRTR2 (0.35) LMNAGAATSHRSMN1; SMN2NPSR1
SCHEMBL5203311 0.70 GAA (0.43) GAASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL13813556 0.64 PTGS2 (0.53) GAAALDH1A1MAPT
SCHEMBL4109868 0.63 FYN (0.50) GAAALDH1A1MAPT
SCHEMBL4122811 0.63 LOXL2 (0.53) GAAALDH1A1MAPT
SCHEMBL30915259 0.63 ALDH1A1 (0.41) NPSR1ALDH1A1MAPT

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-1400521-B1 PIPERAZINE COMPOUNDS KOWA CO (JP) 2007-11-07 EP disclosed
EP-1400521-A1 PIPERAZINE COMPOUNDS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6432957-B1 ANTIASTHMA; ANTIALLERGENS; RHEUMATIC DISEASES; ANTIINFLAMMATORY AGENTS KOWA CO., LTD. (JP) 2002-08-13 US disclosed