SCHEMBL7979853

SCHEMBL7979853

[NH]C(=O)CCCc1nc(-c2ccccn2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.64
RAB9A P51151 13/20 0.64
SMN1; SMN2 Q16637 12/20 0.64
ALDH1A1 P00352 5/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HTT P42858 2/20 0.53
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
FAAH O00519 1/20 0.52
CES1 P23141 1/20 0.52
NCEH1 Q6PIU2 1/20 0.52
DAGLA Q9Y4D2 1/20 0.52
S1PR1 P21453 1/20 0.50
TP53 P04637 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL5717831 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL5717616 0.88 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL1812927 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL3517537 0.83 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL5206454 0.82 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL15291004 0.80 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL4037120 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL26525964 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL1810603 0.78 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL7973730 0.77 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed