SCHEMBL7318581

SCHEMBL7318581

CC(=O)c1c(OCCCCCC(C(N)=O)C2NCCc3ccccc32)cccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 9/20 0.36
ALDH1A1 P00352 2/20 0.35
PRCP P42785 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
OPRK1 P41145 3/20 0.33
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
OPRD1 P41143 1/20 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
SCHEMBL7312987 0.88 L3MBTL1 (0.41) L3MBTL1OPRM1ALDH1A1PRCPKDM4E
SCHEMBL7310181 0.87 L3MBTL1 (0.39) L3MBTL1OPRM1ALDH1A1PRCPKDM4E
SCHEMBL7318574 0.79 MEN1 (0.41) L3MBTL1OPRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7320392 0.77 PRCP (0.36) OPRM1ALDH1A1PRCPKDM4EOPRK1
SCHEMBL7308548 0.73 SIRT3 (0.39) OPRM1ALDH1A1PRCPKDM4EOPRK1
SCHEMBL7308468 0.70 PDE3B (0.34)
SCHEMBL7321178 0.69 PDE3B (0.36) CYP2D6
SCHEMBL7312977 0.68 SIRT3 (0.43) L3MBTL1OPRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7310172 0.66 DRD2 (0.41) L3MBTL1ALDH1A1KDM4ESMN1; SMN2CYP2D6
SCHEMBL3235313 0.65 PRCP (0.51) OPRM1ALDH1A1PRCPSMN1; SMN2

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
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed