SCHEMBL6986524

SCHEMBL6986524

N#Cc1ccc(Cc2ncc(CN(c3ccccc3)N3CCNCC3)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.42
OPRD1 P41143 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MAPKAPK2 P49137 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
USP2 O75604 1/20 0.34
SMO Q99835 1/20 0.34
LTA4H P09960 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
HTR6 P50406 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP19A1 P11511 2/20 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
SCHEMBL7841577 0.80 NOS2 (0.47) BRS3TAAR1MAPKAPK2SLC6A2SLC6A4
SCHEMBL6714998 0.79 MAPKAPK2 (0.46) MAPKAPK2
Hydrochloric Acid SCHEMBL7845559 0.74 NOS2 (0.43) BRS3MAPKAPK2HRH3GRIN1GRIN2B
SCHEMBL7919393 0.73 BRS3 (0.62) BRS3HRH3GRIN1GRIN2BCYP19A1
Hydrochloric Acid SCHEMBL8521500 0.72 BRS3 (0.61) BRS3HRH3GRIN1GRIN2BCYP19A1
Hydrochloric Acid SCHEMBL7936809 0.71 SLC6A2 (0.46) BRS3MAPKAPK2HRH3SLC6A2SLC6A4
SCHEMBL10588302 0.70 BRS3 (0.49) BRS3HRH3GRIN1GRIN2BCYP19A1
SCHEMBL8498703 0.70 BRS3 (0.49) BRS3HRH3GRIN1GRIN2BCYP19A1
SCHEMBL7129739 0.70 BRS3 (0.52) BRS3HRH3GRIN1GRIN2BCYP19A1
SCHEMBL7505077 0.70 LOXL2 (0.49) BRS3HRH3GRIN1GRIN2BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed