SCHEMBL904381

SCHEMBL904381

O=C(Nc1ccc(C2CCN(C(C(=O)O)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.52
NPY2R P49146 2/20 0.49
APOB P04114 5/20 0.49
KLRK1 P26718 1/20 0.48
MICA Q29983 1/20 0.48
RAET1L Q5VY80 1/20 0.48
FPR2 P25090 2/20 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
SCHEMBL904380 1.00 MTTP (0.52) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL904386 1.00 MTTP (0.52) MTTPNPY2RAPOBKLRK1MICA
Hydrochloric Acid SCHEMBL2579600 0.99 MTTP (0.51) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL12174424 0.93 MTTP (0.51) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL14748022 0.92 NPY2R (0.51) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL14748036 0.92 NPY2R (0.51) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL14748023 0.92 NPY2R (0.51) MTTPNPY2RAPOBKLRK1MICA
Usistapide SCHEMBL29376869 0.91 NPY2R (0.62) MTTPNPY2RAPOBKLRK1MICA
Usistapide SCHEMBL803532 0.91 NPY2R (0.62) MTTPNPY2RAPOBKLRK1MICA
Usistapide SCHEMBL785394 0.91 NPY2R (0.62) MTTPNPY2RAPOBKLRK1MICA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435406-B1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP claimed
CN-102448934-B Resolution of (+-)-methyl phenyl[4-[4-[[[4'-(trifluoromethyl)-2-biphenylyl]carbonyl]amino]phenyl]-1-piperidinyl]acetate JANSSEN PHARMACEUTICA NV 2014-04-02 CN disclosed
US-8461341-B2 Resolution of (±)-methyl phenyl[4-[4-[[[4′(trifluoromethyl)-2-biphenylyl]carbonyl]amino]Phenyl]-1-piperidinyl]acetate JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
EP-2435406-B1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP disclosed
CN-102448934-A Resolution of (+-)-methyl phenyl[4-[4-[[[4'-(trifluoromethyl)-2-biphenylyl]carbonyl]amino]phenyl]-1-piperidinyl]acetate JANSSEN PHARMACEUTICA NV 2012-05-09 CN disclosed
EP-2435406-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE Janssen Pharmaceutica, N.V. (BE) 2012-04-04 EP disclosed
EP-2435406-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE Janssen Pharmaceutica, N.V. (BE) 2012-04-04 EP disclosed
WO-2010136526-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2010-12-02 WO disclosed
WO-2010136526-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2010-12-02 WO disclosed
WO-2010136526-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2010-12-02 WO disclosed