SCHEMBL9549259

SCHEMBL9549259

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CN1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
GAA P10253 1/20 0.41
DNM1 Q05193 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP2 P42575 1/20 0.40
OPRD1 P41143 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NAAA Q02083 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9549652 1.00 FAAH (0.43) FAAHGAADNM1KDM4EALDH1A1
SCHEMBL9549107 1.00 FAAH (0.43) FAAHGAADNM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9549305 0.99 FAAH (0.42) FAAHGAADNM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9549510 0.99 FAAH (0.42) FAAHGAADNM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9549323 0.99 FAAH (0.42) FAAHGAADNM1KDM4EALDH1A1
Bromide SCHEMBL10392977 0.99 FAAH (0.42) FAAHGAADNM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9067351 0.99 FAAH (0.42) FAAHGAADNM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9549110 0.99 FAAH (0.42) FAAHGAADNM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9549206 0.99 FAAH (0.42) FAAHGAADNM1KDM4EALDH1A1
SCHEMBL9549521 0.94 GAA (0.42) FAAHGAADNM1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 EP claimed