SCHEMBL3960950

SCHEMBL3960950

O=C(C=C1CCN2CCCC1C2)Nc1ccc2ncccc2c1.[CH2]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47
NPC1 O15118 5/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR3A P46098 1/20 0.45
PABPC1 P11940 1/20 0.43
CHRM5 P08912 2/20 0.42
OTUD7B Q6GQQ9 1/20 0.42
EPHX2 P34913 1/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL3959574 0.86 CYP1A2 (0.46) NPC1POLBMEN1MAPTKMT2A
SCHEMBL3964180 0.79 NPC1 (0.42) NPC1MAPTRAB9ATSHRHTT
SCHEMBL3966975 0.79 HTT (0.39) CDK2NPC1MEN1KMT2ARAB9A
SCHEMBL2092068 0.75 NPC1 (0.51) CCNE1CDK2CDK5NPC1POLB
SCHEMBL3966365 0.75 TGM2 (0.43) POLBEPHX2TRPV1
SCHEMBL3956362 0.75 EPHX2 (0.41) NPC1MEN1KMT2AEPHX2RAB9A
SCHEMBL3966081 0.75 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4ECYP2C19
SCHEMBL2089305 0.75 NPC1 (0.50) CCNE1CDK2CDK5NPC1POLB
SCHEMBL14448258 0.71 HTR3A (0.58) CCNE1CDK2CDK5NPC1POLB
Hydrochloric Acid SCHEMBL5467852 0.70 HTR3A (0.57) CCNE1CDK2CDK5NPC1POLB

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