SCHEMBL3966975

SCHEMBL3966975

O=C(C=C1CCN2CCCC1C2)Nc1ccccn1.[CH2]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
CCNB2 O95067 1/20 0.39
LCK P06239 1/20 0.39
CDK1 P06493 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
FLT1 P17948 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK6 Q00534 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
PKM P14618 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
SCHEMBL3960950 0.79 CCNE1 (0.47) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL3959574 0.77 CYP1A2 (0.46) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL3966365 0.74 TGM2 (0.43)
SCHEMBL3956362 0.74 EPHX2 (0.41) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL2090323 0.71 RAB9A (0.43) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL3968445 0.71 HRH3 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2091095 0.70 RAB9A (0.43) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL17667055 0.64 DHODH (0.51) MEN1KMT2ANPC1RAB9APKM
SCHEMBL17667058 0.64 DHODH (0.51) MEN1KMT2ANPC1RAB9APKM
SCHEMBL27509892 0.64 HTT (0.53) HTTMEN1KMT2ANPC1RAB9A

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