SCHEMBL9329311

SCHEMBL9329311

NCCc1cccc(OCc2nnn[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
MAOB P27338 5/20 0.45
SLC22A12 Q96S37 2/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 2/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL9329216 0.83 MAOB (0.50) MAOB
SCHEMBL3060051 0.80 MAOB (0.51) MAOB
SCHEMBL12017499 0.80 NOS1 (0.49) SLC22A12
SCHEMBL14021848 0.79 CYP4F2 (0.52) MAOBCYP4F2CYP4A11
SCHEMBL9828151 0.78 CYSLTR1 (0.62)
SCHEMBL1233624 0.77 SLC22A12 (0.64) MAOBSLC22A12CYP4F2CYP4A11DRD2
SCHEMBL3886612 0.77 BCHE (0.49) MAOBSLC22A12CYP4F2CYP4A11
SCHEMBL1243217 0.76 RAB9A (0.47) MAOB
SCHEMBL4674381 0.75 NOS1 (0.41) MAOB
SCHEMBL3060047 0.75 PARP1 (0.47) MAOBCYP4F2CYP4A11

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-0356989-B1 Sulfon amides with a tetrazolyl rest, process for their preparation an therapeutic agents BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 EP disclosed
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US disclosed
EP-0356989-A2 Sulfon amides with a tetrazolyl rest, process for their preparation an therapeutic agents Roche Diagnostics GmbH (DE) 1990-03-07 EP disclosed