SCHEMBL2763032

SCHEMBL2763032

O=C(O)CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.41
▸ NR1H2 P55055 6/20 0.40
▸ NR1H3 Q13133 6/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ MCHR1 Q99705 3/20 0.39
▸ APOB P04114 2/20 0.39
▸ MTTP P55157 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL2582780 0.91 MTTP (0.46) SLC6A9APOBMTTPMAPTKDM4E
SCHEMBL6942922 0.83 MTTP (0.47) SLC6A9APOBMTTPMAPTKDM4E
Hydrochloric Acid SCHEMBL5740569 0.73 MTTP (0.48) SLC6A9MCHR1APOBMTTPMAPT
SCHEMBL2589160 0.71 MTTP (0.43) APOBMTTPMAPTKDM4EALDH1A1
SCHEMBL7086631 0.71 NPC1 (0.54) APOBMTTPLMNA
SCHEMBL6698014 0.71 CA1 (0.52) APOBMTTPMAPTKDM4EALDH1A1
SCHEMBL7133291 0.70 NPC1 (0.56) APOBKDM4ELMNA
SCHEMBL6792746 0.70 PTGS1 (0.57) APOBMTTPLMNA
SCHEMBL6580655 0.70 HIF1A (0.56) —
SCHEMBL7079790 0.70 S1PR1 (0.51) S1PR1APOBMTTPLMNA

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
EP-1317431-B1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-20 — — EP disclosed
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