SCHEMBL6433174

SCHEMBL6433174

CCN(CC)CCNC(=O)c1cccnc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP2D6 P10635 5/20 0.50
ADRA2A P08913 3/20 0.50
DRD3 P35462 3/20 0.50
KCNH2 Q12809 3/20 0.50
KMT2A Q03164 2/20 0.50
DRD2 P14416 2/20 0.50
HTR2B P41595 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
STAT6 P42226 1/20 0.50
BLM P54132 1/20 0.49
MCHR1 Q99705 1/20 0.48

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
SCHEMBL6360387 0.85 GAA (0.57) HPGDGAAMAPTLMNASMN1; SMN2
SCHEMBL12438392 0.83 ALDH1A1 (0.60) HPGDALDH1A1KDM4EGAALMNA
SCHEMBL1134956 0.83 ALDH1A1 (0.60) HPGDALDH1A1KDM4EGAALMNA
SCHEMBL12438414 0.83 ALDH1A1 (0.60) HPGDALDH1A1KDM4EGAALMNA
SCHEMBL23136224 0.82 GAA (0.60) HPGDGAAMAPTLMNASMN1; SMN2
SCHEMBL1134981 0.82 ALDH1A1 (0.60) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8286971 0.81 GAA (0.56) HPGDGAAMAPTLMNASMN1; SMN2
SCHEMBL11733379 0.80 CYP2D6 (0.48) HPGDALDH1A1KDM4ELMNACYP2D6
SCHEMBL1753441 0.79 GAA (0.54) HPGDGAAMAPTLMNASMN1; SMN2
SCHEMBL10073072 0.78 KMT2A (0.63) GAAMAPTKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009402-A1 COMPOSITIONS AND USE OF BENZAMIDES AND NICOTINAMIDES AS ANTI-INFLAMMATORY AGENTS OXIGENE, INC. (US) 2000-06-21 EP claimed
EP-1009402-A4 COMPOSITIONS AND USE OF BENZAMIDES AND NICOTINAMIDES AS ANTI-INFLAMMATORY AGENTS OXIGENE INC (US) 2000-06-21 EP claimed
US-6028111-A Compositions and use of benzamides and nicotinamides as anti-inflammatory agents OXIGENE, INC. (US) 2000-02-22 US claimed
WO-1997032582-A1 COMPOSITIONS AND USE OF BENZAMIDES AND NICOTINAMIDES AS ANTI-INFLAMMATORY AGENTS OXIGENE, INC. (US) 1997-09-12 WO claimed
EP-1009402-B1 COMPOSITIONS AND USE OF BENZAMIDES AS ANTI-INFLAMMATORY AGENTS OXIGENE INC (US) 2005-07-27 EP disclosed
EP-1083890-A4 N-ACETYL 3-CHLOROPROCAINAMIDE, ACID ADDITION SALTS THEREOF, AND METHODS OF USE OXIGENE INC (US) 2002-04-24 EP disclosed
EP-1083890-A1 N-ACETYL 3-CHLOROPROCAINAMIDE, ACID ADDITION SALTS THEREOF, AND METHODS OF USE Oxigene, Inc. (US) 2001-03-21 EP disclosed
US-6100299-A N-acetyl 3-chloroprocainamide, acid addition salts thereof, and methods of use OXIGENE, INC. (US) 2000-08-08 US disclosed
EP-1009402-A1 COMPOSITIONS AND USE OF BENZAMIDES AND NICOTINAMIDES AS ANTI-INFLAMMATORY AGENTS OXIGENE, INC. (US) 2000-06-21 EP disclosed
EP-1009402-A4 COMPOSITIONS AND USE OF BENZAMIDES AND NICOTINAMIDES AS ANTI-INFLAMMATORY AGENTS OXIGENE INC (US) 2000-06-21 EP disclosed
US-6028111-A Compositions and use of benzamides and nicotinamides as anti-inflammatory agents OXIGENE, INC. (US) 2000-02-22 US disclosed
WO-1999063987-A1 N-ACETYL 3-CHLOROPROCAINAMIDE, ACID ADDITION SALTS THEREOF, AND METHODS OF USE OXIGENE, INC. (US) 1999-12-16 WO disclosed
WO-1997032582-A1 COMPOSITIONS AND USE OF BENZAMIDES AND NICOTINAMIDES AS ANTI-INFLAMMATORY AGENTS OXIGENE, INC. (US) 1997-09-12 WO disclosed