SCHEMBL7316869

SCHEMBL7316869

CC(=O)c1ccc(OCCCCCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 2/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7311180 0.88 PDE3B (0.47) MAOBNPC1RAB9APDE3BPDE3A
SCHEMBL7318596 0.85 NPC1 (0.43) NPC1RAB9APDE3BPDE3APKM
SCHEMBL10374643 0.85 NPC1 (0.43) NPC1RAB9APDE3BPDE3APKM
SCHEMBL7314387 0.85 PDE3B (0.42) MAOBNPC1RAB9APDE3BPDE3A
SCHEMBL7310331 0.85 PKM (0.43) NPC1RAB9APDE3BPDE3APKM
SCHEMBL10375855 0.83 NPC1 (0.43) NPC1RAB9APDE3BPDE3APKM
SCHEMBL7309403 0.83 KMT2A (0.47) NPC1RAB9APDE3BPDE3ASMN1; SMN2
SCHEMBL10374758 0.82 NPC1 (0.44) NPC1RAB9APDE3BPDE3APKM
SCHEMBL10377086 0.81 PDE3B (0.46) NPC1RAB9APDE3BPDE3APKM
SCHEMBL7304356 0.79 PDE3B (0.46) NPC1RAB9APDE3BPDE3APKM

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