SCHEMBL6192829

SCHEMBL6192829

NC(=O)NC1CC(Cc2ccccc2)CCN1C(C(=O)C1CCCCC1)C1CCc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD11B1 P28845 1/20 0.33
HTR1A P08908 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC18A3 Q16572 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL6193124 0.82 GRIN2B (0.41) MEN1HTTKMT2AGRIN2BALDH1A1
SCHEMBL6194843 0.80 ALDH1A1 (0.35) MEN1HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL6194441 0.79 SMYD3 (0.32) GAASMN1; SMN2
SCHEMBL6194715 0.78 SMN1; SMN2 (0.38) MEN1HTTKMT2AGRIN2BALDH1A1
SCHEMBL6197446 0.74 SLC18A3 (0.34) MEN1KMT2AGAAALDH1A1HSD11B1
SCHEMBL6192571 0.74 CCR3 (0.36)
SCHEMBL6193429 0.73 RIPK1 (0.36) GAAALDH1A1HTR1AMAPT
SCHEMBL6192809 0.72 ATM (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6196153 0.72 KDM4E (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7056625 0.72 EPHX1 (0.51) KMT2AGAAALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP claimed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP claimed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO claimed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed