SCHEMBL11516616

SCHEMBL11516616

c1coc(C2NCCc3[nH]cnc32)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
LMNA P02545 1/20 0.54
POLB P06746 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
GID4 Q8IVV7 1/20 0.34
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA2B P29275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3441643 0.75 RAB9A (1.00) RAB9ALMNAPOLBALDH1A1GID4
SCHEMBL25405122 0.74 RAB9A (0.57) RAB9ALMNAPOLBALDH1A1CHRM5
Hydrochloric Acid SCHEMBL7526788 0.74 RAB9A (0.97) RAB9ALMNAPOLBALDH1A1GID4
SCHEMBL1991375 0.72 RAB9A (0.66) RAB9ALMNAPOLBALDH1A1GAA
SCHEMBL4357488 0.71 RAB9A (0.74) RAB9ALMNAPOLBALDH1A1GID4
SCHEMBL25403288 0.71 RAB9A (0.49) RAB9ALMNAPOLBALDH1A1
SCHEMBL25402282 0.71 RAB9A (0.49) RAB9ALMNAPOLBALDH1A1
SCHEMBL25405281 0.71 RAB9A (0.49) RAB9ALMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL11515794 0.71 RAB9A (0.64) RAB9ALMNAPOLBALDH1A1GAA
SCHEMBL11518030 0.70 RAB9A (0.71) RAB9ALMNAPOLBALDH1A1KMT2A

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed