SCHEMBL7119382

SCHEMBL7119382

CC(C)CC(C(=O)NCC#N)c1cccc(NC(=O)NCCCN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.59
CTSL P07711 11/20 0.59
CTSS P25774 11/20 0.59
CTSB P07858 10/20 0.59
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.48
TACR2 P21452 2/20 0.47
HTR2A P28223 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL4714929 0.85 CTSK (0.59) CTSKCTSLCTSSCTSB
SCHEMBL6184189 0.84 TACR2 (0.55) CTSKCTSLCTSSCTSBSMN1; SMN2
SCHEMBL4716448 0.79 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL6181617 0.79 SMN1; SMN2 (0.56) CTSKCTSLCTSSCTSBSMN1; SMN2
SCHEMBL4712545 0.77 CTSK (0.82) CTSKCTSLCTSSCTSB
SCHEMBL4716413 0.77 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL4715515 0.76 CTSK (0.69) CTSKCTSLCTSSCTSB
SCHEMBL6184194 0.75 EPHX2 (0.51) CTSBSMN1; SMN2MAPTTACR2HTR2A
SCHEMBL4712035 0.74 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL4713424 0.74 CTSK (0.89) CTSKCTSLCTSSCTSB

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
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed