SCHEMBL3968445

SCHEMBL3968445

O=C(C=C1CCN2CCCC1C2)NCc1ccc(Cl)cc1.[CH2]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3965951 0.74 NPY5R (0.35) NPC1RAB9ALMNAPOLBGAA
SCHEMBL3956114 0.74 KMT2A (0.42) NPC1RAB9AEPHX1KMT2AMEN1
SCHEMBL2090645 0.71 KMT2A (0.44) NPC1RAB9AEPHX1LMNAKMT2A
SCHEMBL3956362 0.71 EPHX2 (0.41) NPC1RAB9AEPHX1LMNAKMT2A
SCHEMBL3966365 0.71 TGM2 (0.43) POLB
SCHEMBL3966975 0.71 HTT (0.39) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL2092385 0.71 KMT2A (0.43) NPC1RAB9AEPHX1LMNAKMT2A
SCHEMBL3959574 0.70 CYP1A2 (0.46) NPC1RAB9AEPHX1LMNAKMT2A
SCHEMBL3959493 0.70 NAMPT (0.44) NPC1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL21696977 0.65 POLB (0.54) HRH3NPC1RAB9AEPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069346-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF Abbott Laboratories (US) 2009-06-17 EP disclosed
WO-2008118743-A1 ACETAMIDE AND CARBOXAMIDE DERIVATIVES OF AZAADAMANTANE AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed