SCHEMBL8438009

SCHEMBL8438009

CCCCCCCN(c1ccccc1)C(C)CC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
KCNH2 Q12809 7/20 0.42
TACR1 P25103 3/20 0.41
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
ICMT O60725 1/20 0.37
ALB P02768 1/20 0.37
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL1812827 0.89 ESRRG (0.34) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL8436030 0.88 NPC1 (0.44) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL95222 0.87 SIGMAR1 (0.36) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL7774483 0.87 NPC1 (0.43) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL25684761 0.85 TAAR1 (0.39) SIGMAR1
SCHEMBL3956329 0.85 TAAR1 (0.39) SIGMAR1
SCHEMBL27329621 0.85 ADRA2C (0.37) SIGMAR1
SCHEMBL17045962 0.84 TAAR1 (0.38) SIGMAR1
SCHEMBL7163078 0.83 NPC1 (0.39) NPC1JAK2RAB9APAX8KCNH2
SCHEMBL8438389 0.79 NPC1 (0.39) NPC1JAK2RAB9APAX8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5865857-A COLORFASTNESS; PHOTOSTABILITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0667887-B1 DYES ZENECA LTD (GB) 1998-09-23 EP disclosed
US-5660598-A PRODUCE LIGHTFAST BLUE TO GREEN SHADES ON SYNTHETIC TEXTILES ZENECA LIMITED (GB) 1997-08-26 US disclosed
EP-0667887-A1 DYES ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1994010248-A1 DYES ZENECA LIMITED (GB) 1994-05-11 WO disclosed