SCHEMBL203150

SCHEMBL203150

c1ccc(C2NCC3CCC2N3)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL30000102 0.71 MAPT (0.42) DDB1CRBNMAPTTDP1ALDH1A1
SCHEMBL12741374 0.71 OPRM1 (0.44) DDB1CRBNMAPTALDH1A1KDM4E
SCHEMBL13197255 0.71 KDM4E (0.48) DDB1CRBNMAPTTDP1ALDH1A1
SCHEMBL28864035 0.70 DDB1 (0.37) DDB1CRBNMAPTTDP1ALDH1A1
SCHEMBL202537 0.67 CHRNB2 (0.32) TDP1ALDH1A1KMT2ACHRNB2CHRNA4
SCHEMBL5759801 0.66 CHRNB2 (0.41) DDB1CRBNMAPTTDP1ALDH1A1
SCHEMBL29743006 0.66 DDB1 (0.40) DDB1CRBNMAPTTDP1ALDH1A1
SCHEMBL26621205 0.66 MAPT (0.40) DDB1CRBNMAPTTDP1ALDH1A1
SCHEMBL20840578 0.66 DDB1 (0.40) DDB1CRBNMAPTTDP1ALDH1A1
SCHEMBL11562353 0.65 CHRNB2 (0.46) DDB1CRBNMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297148-B8 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-03-28 EP disclosed
EP-2297148-B1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-01-04 EP disclosed
EP-2297148-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS Sanofi-Aventis (FR) 2011-03-23 EP disclosed
WO-2009150388-A1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI-AVENTIS (FR) 2009-12-17 WO disclosed