SCHEMBL7743231

SCHEMBL7743231

C[C@@H]1CCC[C@@H](C)C1COC(=O)N1CCN(Cc2cnc[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPG P29372 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CYP2D6 P10635 3/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KAT2B Q92831 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM3 P20309 1/20 0.36
TSHR P16473 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
SCHEMBL7747654 1.00 MPG (0.40) MPGHRH2HRH1CYP2D6FNTA
SCHEMBL7747674 0.77 FNTA (0.45) CYP2D6FNTAFNTBHRH3
SCHEMBL7747199 0.71 MPG (0.40) MPGHRH2HRH1CYP2D6FNTA
SCHEMBL7127275 0.71 FNTA (0.36) HRH1FNTAFNTBHRH3
SCHEMBL7128886 0.71 FNTA (0.36) HRH1FNTAFNTBHRH3
SCHEMBL7516922 0.68 ALDH1A1 (0.46) FNTAFNTBKDM4EGAATSHR
SCHEMBL4111392 0.68 SIGMAR1 (0.53) MPGCYP2D6FNTAFNTBSIGMAR1
SCHEMBL2750851 0.67 HRH3 (0.62) MPGHRH1KDM4EHRH3
SCHEMBL27864314 0.66 HRH3 (0.58) MPGHRH1HRH3
SCHEMBL31010330 0.66 HRH3 (0.63) MPGHRH1CYP2D6HRH3

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