SCHEMBL7967174

SCHEMBL7967174

c1ccc(C(CN2CCNCC2)c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.55
SIGMAR1 Q99720 2/20 0.48
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CCR2 P41597 1/20 0.43

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
SCHEMBL7288783 0.90 SIGMAR1 (0.56) SLC6A4SIGMAR1SLC6A2SLC6A3MEN1
SCHEMBL6649269 0.79 ADRB2 (0.44) SLC6A4SIGMAR1SLC6A2ADRB2NCF1
SCHEMBL5549076 0.77 MEN1 (0.79) SLC6A4MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7289000 0.75 SLC6A2 (0.57) SLC6A4SIGMAR1SLC6A2SLC6A3CYP2D6
SCHEMBL8305793 0.75 ALDH1A1 (0.63) SLC6A4SIGMAR1SLC6A2MEN1KMT2A
SCHEMBL1977577 0.75 SLC6A2 (0.57) SLC6A4SIGMAR1SLC6A2SLC6A3CYP2D6
SCHEMBL14035360 0.75 GAA (0.65) SIGMAR1MEN1KMT2A
SCHEMBL2797036 0.75 GAA (0.65) SIGMAR1MEN1KMT2A
SCHEMBL14035242 0.75 GAA (0.65) SIGMAR1MEN1KMT2A
SCHEMBL24672687 0.73 GAA (0.63) SIGMAR1MEN1KMT2A

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
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed