SCHEMBL7303721

SCHEMBL7303721

O=C(Nc1cnc2c(c1)CCCC2)C(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
SMN1; SMN2 Q16637 6/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 3/20 0.36
HTT P42858 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5060694 0.80 ADRA2A (0.47) ADRA2AADRA2BADRA2CSMN1; SMN2RAB9A
SCHEMBL23194500 0.79 ADRA2A (0.46) ADRA2AADRA2BADRA2CSMN1; SMN2RAB9A
SCHEMBL26633385 0.78 ADRA2A (0.44) ADRA2AADRA2BADRA2CSMN1; SMN2RAB9A
SCHEMBL21033196 0.72 NPC1 (0.62) SMN1; SMN2RAB9ANPC1TP53KMT2A
SCHEMBL12909529 0.71 ADRA2A (0.53) ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL21032816 0.70 RAB9A (0.49) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL21032819 0.70 MAPT (0.44) ADRA2AADRA2BADRA2CSMN1; SMN2RAB9A
SCHEMBL21033678 0.69 RAB9A (0.53) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1
SCHEMBL14657808 0.69 ALDH1A1 (0.46) SMN1; SMN2MAPTTP53HTTKMT2A
SCHEMBL29791389 0.69 ALDH1A1 (0.46) SMN1; SMN2MAPTTP53HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556008-B1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO (JP) 1997-05-14 EP disclosed
US-5461062-A Psychotropic agent as antianxiety agent, anesthesia antagonistic agent SHIONOGI & CO., LTD. (JP) 1995-10-24 US disclosed
US-5378848-A Benzodiazepine agonist, psychotropic, antianxiety, cerebral function activator, anesthesia atagonist SHIONOGI & CO., LTD. (JP) 1995-01-03 US disclosed
EP-0556008-A1 Condensed imidazopyridine derivatives with psychotropic activity SHIONOGI & CO., LTD. (JP) 1993-08-18 EP disclosed