SCHEMBL14501014

SCHEMBL14501014

CC(C)(C)N1CCC(NS(=O)(=O)CCCCl)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.32
SMO Q99835 5/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL14501019 0.86 PSEN1 (0.40) F10CNR1CNR2
SCHEMBL14501016 0.80 SMO (0.36) SMO
SCHEMBL2577442 0.80 CA12 (0.42)
SCHEMBL223223 0.79 F10 (0.49) F10SMOCNR1CNR2
Hydrochloric Acid SCHEMBL221304 0.78 F10 (0.48) F10SMOCNR1CNR2
SCHEMBL16072929 0.74 PSEN1 (0.38) F10
SCHEMBL22595195 0.73 EPHX1 (0.48)
SCHEMBL10205111 0.73 SMO (0.35) SMO
SCHEMBL7097824 0.73 CA12 (0.39)
SCHEMBL8186666 0.73 CA12 (0.39)

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
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed