SCHEMBL8305577

SCHEMBL8305577

C=C(C)/N=C\C(=C/C)N1CCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
NAAA Q02083 1/20 0.41
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL13705824 0.91 FAAH (0.33) FAAHNAAA
SCHEMBL20037922 0.81
SCHEMBL20038190 0.79 ATM (0.30)
SCHEMBL8306796 0.78 FAAH (0.40) FAAHNAAANPSR1ALDH1A1POLB
SCHEMBL8311338 0.75 NAAA (0.41) FAAHNAAA
SCHEMBL13705841 0.74 LMNA (0.38) ALDH1A1HSD17B10MAPT
SCHEMBL8343025 0.73 NAAA (0.33) NAAA
SCHEMBL13705816 0.73 LMNA (0.37) ALDH1A1HSD17B10MAPT
SCHEMBL8312444 0.72
SCHEMBL27841200 0.72

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
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed