SCHEMBL27714822

SCHEMBL27714822

NC(=O)C(N)(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
ARG1 P05089 3/20 0.43
ARG2 P78540 3/20 0.43
GBA1 P04062 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.40
GRM2 Q14416 3/20 0.40
GRM3 Q14832 3/20 0.40
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
SLC6A2 P23975 1/20 0.36

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
SCHEMBL5651523 0.76 SLC6A2 (0.50) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL7262090 0.75 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AARG1ARG2GRM2
SCHEMBL28021430 0.74 HRH1 (0.56) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL2358483 0.74 SLC6A2 (0.39) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL27763602 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AARG1ARG2GRM2
SCHEMBL7258254 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AARG1ARG2GRM2
SCHEMBL1410182 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AARG1ARG2GRM2
SCHEMBL5650003 0.73 GBA1 (0.45) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL5310845 0.72 HRH1 (0.43) HRH1MEN1LMNACYP2D6SCN1A
SCHEMBL11861949 0.72 HRH1 (0.53) HRH1MEN1LMNACYP2D6SCN1A

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
CN-101217958-A Inhibitors of AKT activity MERCK & CO INC (US) 2008-07-09 CN claimed
CN-101217958-A Inhibitors of AKT activity MERCK & CO INC (US) 2008-07-09 CN disclosed