SCHEMBL7004176

SCHEMBL7004176

CN[C@@H]1C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.49
MAOB P27338 5/20 0.49
MAOA P21397 4/20 0.49
MDM2 Q00987 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CNR1 P21554 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
SLC6A3 Q01959 1/20 0.41
GRIA4 P48058 1/20 0.41

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
SCHEMBL7004171 1.00 KDM1A (0.49) KDM1AMAOBMAOAMDM2HTR2A
Hydrochloric Acid SCHEMBL4138450 0.93 KDM1A (0.51) KDM1AMAOBMAOAMDM2HTR2A
SCHEMBL18416962 0.80 KDM1A (0.42) KDM1AMAOBMAOASLC6A3
SCHEMBL18416963 0.80 KDM1A (0.42) KDM1AMAOBMAOASLC6A3
SCHEMBL27965824 0.79 KDM1A (0.52) KDM1AMAOBMAOAHTR2AHTR2C
SCHEMBL21101247 0.79 KDM1A (0.54) KDM1AMAOBMAOA
SCHEMBL19466144 0.79 KDM1A (0.52) KDM1AMAOBMAOAHTR2AHTR2C
SCHEMBL14885503 0.79 KDM1A (0.54) KDM1AMAOBMAOA
SCHEMBL15778201 0.79 KDM1A (0.57) KDM1AMAOBMAOAHTR2AHTR2C
SCHEMBL12015667 0.78 KDM1A (0.65) KDM1AMAOBMAOAHTR2C

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
EP-1097153-B1 NOVEL TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed