SCHEMBL8916682

SCHEMBL8916682

CCOC(=O)C(OC)C1CN(CCSc2ccnc(CSc3nc4ccccc4[nH]3)c2C)CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOAT1 P35610 5/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL8916676 0.83 RAB9A (0.42) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8917173 0.82 RAB9A (0.42) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8916393 0.81 RAB9A (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8915326 0.79 RAB9A (0.43) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8915387 0.79 RAB9A (0.48) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8915606 0.79 RAB9A (0.69) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8917910 0.78 RAB9A (0.44) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8915844 0.77 RAB9A (0.50) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8915325 0.76 RAB9A (0.55) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8916633 0.76 RAB9A (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed