SCHEMBL5696933

SCHEMBL5696933

N#CCCCCCCOC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
ALOX15 P16050 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL5697167 1.00 LMNA (0.39) LMNATSHRCHRNB2CHRNA4CHRM2
SCHEMBL5697143 1.00 LMNA (0.39) LMNATSHRCHRNB2CHRNA4CHRM2
SCHEMBL5697004 1.00 LMNA (0.39) LMNATSHRCHRNB2CHRNA4CHRM2
SCHEMBL5721423 1.00 LMNA (0.39) LMNATSHRCHRNB2CHRNA4CHRM2
SCHEMBL5697059 0.98 LMNA (0.40) LMNATSHRCHRNB2CHRNA4CHRM2
SCHEMBL29283287 0.94 LMNA (0.36) LMNATSHRCHRNB2CHRNA4CHRM2
SCHEMBL4056943 0.91
SCHEMBL28670236 0.83 TSHR (0.37) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL28662289 0.83 TSHR (0.37) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL4655708 0.82

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-1499656-B1 METHOD FOR PRODUCING POLYAMIDES BASF AG (DE) 2006-07-05 EP disclosed
EP-1658321-A1 METHOD FOR THE PRODUCTION OF POLYAMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-05-24 EP disclosed
WO-2005019304-A1 METHOD FOR THE PRODUCTION OF POLYAMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-03-03 WO disclosed