SCHEMBL9244279

SCHEMBL9244279

CCCCCCCCCCCCCCC1=NCCN1CCCNC(=O)CCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.47
FAAH O00519 4/20 0.46
OPRD1 P41143 1/20 0.44
CASP2 P42575 1/20 0.43
NAAA Q02083 1/20 0.41
EPHX2 P34913 3/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL6241481 1.00 DNM1 (0.47) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9240571 1.00 DNM1 (0.47) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9245043 0.94 DNM1 (0.46) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9647844 0.94 DNM1 (0.46) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9325993 0.94 DNM1 (0.46) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9244113 0.94 DNM1 (0.46) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9324205 0.94 DNM1 (0.46) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9240518 0.94 DNM1 (0.46) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9325210 0.94 DNM1 (0.46) DNM1FAAHOPRD1CASP2NAAA
SCHEMBL9237739 0.93 EPHX2 (0.52) EPHX2TRPV1MEN1MAPTKMT2A

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-0684223-A1 Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP disclosed
US-5463094-A Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST CELANESE CORPORATION (US) 1995-10-31 US disclosed