SCHEMBL8908664

SCHEMBL8908664

CC(CCCCO)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.58
BCHE P06276 1/20 0.49
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RRM1 P23921 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL536907 0.87 SIGMAR1 (0.63) SIGMAR1BCHEGAAATMPOLB
SCHEMBL31127843 0.87 SIGMAR1 (0.63) SIGMAR1BCHEGAAATMPOLB
SCHEMBL2794487 0.84 SIGMAR1 (0.59) SIGMAR1BCHEGAAATMPOLB
SCHEMBL2454752 0.84 SIGMAR1 (0.59) SIGMAR1BCHEGAAATMPOLB
SCHEMBL2794958 0.84 SIGMAR1 (0.59) SIGMAR1BCHEGAAATMPOLB
SCHEMBL19868618 0.83 SIGMAR1 (0.58) SIGMAR1BCHEGAAATMPOLB
SCHEMBL11872517 0.83 SIGMAR1 (0.58) SIGMAR1BCHEGAAATMPOLB
SCHEMBL27919164 0.83 SIGMAR1 (0.58) SIGMAR1BCHEGAAATMPOLB
SCHEMBL667265 0.83 SIGMAR1 (0.58) SIGMAR1BCHEGAAATMPOLB
SCHEMBL666714 0.83 SIGMAR1 (0.58) SIGMAR1BCHEGAAATMPOLB

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-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed