SCHEMBL4707294

SCHEMBL4707294

O=C(CN1CCN(C(=O)c2[nH]c3ccccc3c2CN2CCC(c3c(F)cccc3Cl)CC2)CC1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCL1 Q07820 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2A13 Q16696 1/20 0.39
ACHE P22303 1/20 0.38
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4708847 0.95 HTT (0.46) HTTHSD17B10MCL1KMT2AMEN1
SCHEMBL4706833 0.94 MCL1 (0.46) HTTHSD17B10MCL1KDM4ENPC1
SCHEMBL4775162 0.90 MCL1 (0.39) HTTHSD17B10MCL1KDM4ENPC1
Hydrochloric Acid SCHEMBL4516276 0.87 MCL1 (0.49) HTTHSD17B10MCL1KDM4EKMT2A
Hydrochloric Acid SCHEMBL4520019 0.86 MCL1 (0.46) HTTHSD17B10MCL1KDM4EKMT2A
SCHEMBL4778114 0.83 KDM4E (0.42) HTTMCL1KDM4ENPC1RAB9A
SCHEMBL4778117 0.83 KDM4E (0.42) HTTMCL1KDM4ENPC1RAB9A
SCHEMBL4708555 0.82 DRD2 (0.40) MCL1KDM4ENPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL4527694 0.81 MCL1 (0.58) HTTHSD17B10MCL1KDM4EALDH1A1
SCHEMBL4706258 0.81 ALDH1A1 (0.47) HTTHSD17B10MCL1KDM4EKMT2A

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
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO claimed
EP-1873150-A1 Fluorinated indoleamides useful as ligands of the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2008-01-02 EP claimed
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed
EP-1873150-A1 Fluorinated indoleamides useful as ligands of the ORL-1 receptor NIKEM RESEARCH S.R.L. (IT) 2008-01-02 EP disclosed