SCHEMBL5758376

SCHEMBL5758376

O=C(Cc1ccc(Cl)c(Cl)c1)NCCC(c1ccccc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
TACR1 P25103 2/20 0.46
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
CCR3 P51677 1/20 0.44
CCR5 P51681 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD17B2 P37059 1/20 0.43
HTT P42858 1/20 0.43
SLC6A4 P31645 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL5758947 0.86 SIGMAR1 (0.46) SIGMAR1TACR1CNR1CNR2CCR3
SCHEMBL5759400 0.82 CCR3 (0.45) SIGMAR1NPFFR1NPFFR2TACR1CCR3
SCHEMBL5757825 0.80 SLC6A2 (0.54) SLC6A2SLC6A3CCR5GRIN1GRIN2B
SCHEMBL5758650 0.79 CCR3 (0.60) SLC6A2SLC6A3CCR3SLC6A4MEN1
SCHEMBL6009258 0.77 SIGMAR1 (0.54) SIGMAR1NPFFR1NPFFR2SLC6A2SLC6A3
SCHEMBL5758619 0.75 CCR5 (0.40) SIGMAR1NPFFR1NPFFR2TACR1SLC6A2
SCHEMBL5327611 0.74 CNR1 (0.57) SIGMAR1CNR1CNR2CA1CA2
SCHEMBL5757908 0.73 CARM1 (0.59) SIGMAR1SLC6A2SLC6A3SLC6A4GRIN1
SCHEMBL7497930 0.73 CCR3 (0.61) CCR3MEN1KMT2A
SCHEMBL6008834 0.73 SIGMAR1 (0.56) SIGMAR1NPFFR1NPFFR2CCR3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP claimed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP claimed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO claimed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed