SCHEMBL7083640

SCHEMBL7083640

Cc1ccccc1-c1ccc(C(=O)N2CC(=O)CC2C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NAMPT P43490 1/20 0.46
SLC6A7 Q99884 4/20 0.44
SLC6A9 P48067 2/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CETP P11597 1/20 0.41
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
F10 P00742 1/20 0.39

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
SCHEMBL7086418 0.91 POLB (0.47) MAPTGAAMEN1KMT2ASLC6A7
SCHEMBL4942054 0.87 OXTR (0.56) MAPTGAAMEN1KMT2ANAMPT
SCHEMBL4942050 0.87 OXTR (0.56) MAPTGAAMEN1KMT2ANAMPT
SCHEMBL5745251 0.81 AVPR1A (0.46) MAPTGAAMEN1KMT2ANAMPT
SCHEMBL4944266 0.79 OXTR (0.54) MAPTGAAMEN1KMT2AHTT
SCHEMBL4944268 0.79 OXTR (0.54) MAPTGAAMEN1KMT2AHTT
SCHEMBL5481411 0.76 AVPR1A (0.57) SLC6A7OXTRAVPR1AGHSR
SCHEMBL6017547 0.76 AVPR1A (0.57) SLC6A7OXTRAVPR1AGHSR
SCHEMBL29396604 0.76 AVPR1A (0.57) SLC6A7OXTRAVPR1AGHSR
SCHEMBL7132235 0.72 CREBBP (0.39) NAMPTSLC6A7OXTRAVPR1AGHSR

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
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO disclosed