SCHEMBL7998000

SCHEMBL7998000

COC(=O)c1cc(OCCCN(C)C)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ALPL P05186 9/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL3217260 0.84 ALPL (0.64) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL5113642 0.82 MAPK1 (0.58) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL7997998 0.80 GRN (0.43) ALPLGAAMAPTPOLBSMN1; SMN2
SCHEMBL17479592 0.79 MAPK1 (0.62) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL7230719 0.78 MAPK1 (0.60) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL3202467 0.78 MAPK1 (0.60) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL30107039 0.75 MAPK1 (0.70) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL26927238 0.73 MAPK1 (0.50) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL5111954 0.72 GAA (0.56) MAPK1ALPLRAB9ANPC1GAA
SCHEMBL22574774 0.72 MAPT (0.49) MAPK1ALPLRAB9ANPC1GAA

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed