SCHEMBL7263182

SCHEMBL7263182

c1ccc(N2CN(c3ccccc3)C3C2N(c2ccccc2)CN3c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
BPTF Q12830 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 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
SCHEMBL9668731 0.83 MAPT (0.52) MAPTNPSR1SMN1; SMN2MAPK1HTT
SCHEMBL16254045 0.79 MAPT (0.39) MAPTNPSR1SMN1; SMN2MAPK1HTT
SCHEMBL6271908 0.77 MAPT (0.43) MAPTNPSR1SMN1; SMN2MAPK1HTT
SCHEMBL1071244 0.70 MAPK1 (0.50) MAPTNPSR1SMN1; SMN2MAPK1SIGMAR1
SCHEMBL4019885 0.70 SLC18A3 (0.42) MAPTNPSR1SMN1; SMN2MAPK1HTT
SCHEMBL8811436 0.70 MAPT (0.41) MAPTNPSR1SMN1; SMN2MAPK1HTT
SCHEMBL6622485 0.69 CHRNB2 (0.43) MAPTNPSR1MEN1KMT2ANPC1
SCHEMBL12254378 0.69 MAPK1 (0.49) MAPTNPSR1SMN1; SMN2MAPK1HTT
SCHEMBL23828167 0.67 SLC18A3 (0.41) MAPTNPSR1SMN1; SMN2MAPK1HTT
SCHEMBL474882 0.67 SIGMAR1 (0.52) MAPTSMN1; SMN2MAPK1SIGMAR1MEN1

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
EP-1360007-A1 METHOD FOR THE PREPARATION OF OPTICAL (BIO)CHEMICAL SENSOR DEVICES Vir A/S (DK) 2003-11-12 EP disclosed
WO-2002066162-A1 METHOD FOR THE PREPARATION OF OPTICAL (BIO)CHEMICAL SENSOR DEVICES VIR A/S (DK) 2002-08-29 WO disclosed
US-20020115224-A1 Method for the preparation of optical (bio)chemical sensor devices VIR A/S (DK) 2002-08-22 US disclosed