SCHEMBL7313625

SCHEMBL7313625

CC(=O)c1c(C)cc(OCCCCCCC(=O)NC2CCc3ccccc3N2)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 8/20 0.36
CNR2 P34972 8/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SIRT3 Q9NTG7 1/20 0.33
MTNR1A P48039 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7317420 0.89 CNR1 (0.36) SMN1; SMN2CNR1CNR2CYP1A2CYP3A4
SCHEMBL7319250 0.88 SIRT3 (0.38) CNR1CNR2CYP1A2CYP3A4CYP2D6
SCHEMBL7316802 0.82 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7311150 0.78 SIRT3 (0.47) SMN1; SMN2CNR1CNR2CYP1A2CYP3A4
SCHEMBL7311390 0.78 SIRT3 (0.38) SMN1; SMN2CNR1CNR2CYP1A2CYP3A4
SCHEMBL7314537 0.71 PDE3B (0.43) SMN1; SMN2CNR1CNR2
SCHEMBL7315274 0.71 PDE3B (0.45) CNR1CNR2
SCHEMBL7309403 0.68 KMT2A (0.47) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL7313632 0.66 ATM (0.39) L3MBTL1LMNAALDH1A1MAPTMEN1
SCHEMBL7318574 0.65 MEN1 (0.41) SMN1; SMN2CNR1CNR2CYP1A2CYP3A4

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