SCHEMBL9740930

SCHEMBL9740930

N#CN1CCC[C@@H]1N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.35
CTSK P43235 3/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 1/20 0.35
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9740934 1.00 CTSL (0.35) CTSLCTSKCTSBCTSSCYP2D6
SCHEMBL4484382 0.77 CYP2D6 (0.31) CYP2D6MEN1KMT2ALMNA
SCHEMBL1308103 0.77 CYP2D6 (0.31) CYP2D6MEN1KMT2ALMNA
SCHEMBL3396062 0.76 CYP2D6 (0.30) CYP2D6MEN1KMT2ALMNA
SCHEMBL2386504 0.76 CYP2D6 (0.30) CYP2D6MEN1KMT2ALMNA
SCHEMBL30441147 0.71
SCHEMBL1960413 0.71 CYP2D6 (0.34) CYP2D6MEN1KMT2ALMNA
SCHEMBL4080897 0.69
SCHEMBL23942057 0.67
SCHEMBL8065247 0.67

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-5157124-A Improving mental performance THE UPJOHN COMPANY (US) 1992-10-20 US disclosed