SCHEMBL7747199

SCHEMBL7747199

CC1(C)CC(OC(=O)N2CCN(Cc3cnc[nH]3)CC2)CC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPG P29372 1/20 0.40
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
FNTA P49354 4/20 0.36
FNTB P49356 4/20 0.36
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CYP2D6 P10635 2/20 0.35
HRH3 Q9Y5N1 3/20 0.35
KAT2B Q92831 1/20 0.35
KCNH2 Q12809 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL7743231 0.71 MPG (0.40) MPGCHRM3SIGMAR1FNTAFNTB
SCHEMBL7747654 0.71 MPG (0.40) MPGCHRM3SIGMAR1FNTAFNTB
SCHEMBL27864314 0.67 HRH3 (0.58) MPGHRH1HRH3
SCHEMBL4111392 0.66 SIGMAR1 (0.53) MPGCHRM3SIGMAR1FNTAFNTB
SCHEMBL14375261 0.66 HRH3 (0.56) MPGCHRM3SIGMAR1HRH3
SCHEMBL2750851 0.65 HRH3 (0.62) MPGHRH1HRH3
SCHEMBL7516922 0.65 ALDH1A1 (0.46) FNTAFNTB
SCHEMBL31010330 0.64 HRH3 (0.63) MPGHRH1CYP2D6HRH3
SCHEMBL13512586 0.63 HRH3 (0.64) MPGCHRM3HRH3
SCHEMBL6495749 0.62 MPG (0.49) MPGCHRM3HRH1HRH3

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
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed