SCHEMBL10668658

SCHEMBL10668658

CN(C)CCCc1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HRH3 Q9Y5N1 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 1/20 0.51
NR1I2 O75469 1/20 0.50
POLB P06746 1/20 0.50
AHR P35869 1/20 0.50
RAD52 P43351 1/20 0.50
RCE1 Q9Y256 1/20 0.50
MAOB P27338 2/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL10668062 0.94 RAB9A (0.63) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL9872868 0.87 RAB9A (0.58) RAB9AMAPTSMN1; SMN2HPGDL3MBTL1
SCHEMBL15031615 0.84 RAB9A (0.68) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL9871275 0.83 RAB9A (0.53) RAB9AMAPTSMN1; SMN2L3MBTL1TDP1
SCHEMBL9872136 0.82 RAB9A (0.60) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL9871916 0.81 RAB9A (0.59) RAB9AMAPTSMN1; SMN2HPGDL3MBTL1
SCHEMBL8298007 0.80 RAB9A (0.79) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL2330814 0.80 RAB9A (0.61) RAB9AMAPTSMN1; SMN2HPGDNPSR1
SCHEMBL30839868 0.79 TERT (0.74) MAPTNPC1NR1I2POLBAHR
SCHEMBL1569149 0.79 TERT (0.74) MAPTNPC1NR1I2POLBAHR

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-4764612-A SELECTIVE HISTAMINE H2-ANTAGONIST GLAXO GROUP LIMITED (GB) 1988-08-16 US disclosed
US-4442110-A ANTISECRETORY, ANTIALLERGEN, ANTIINFLAMMATORY, ANTIULCER GLAXO GROUP LIMITED (GB) 1984-04-10 US disclosed
US-4318913-A 1,2,4-Triazole-3,5-diamine derivatives GLAXO GROUP LIMITED (GB) 1982-03-09 US disclosed