SCHEMBL9501238

SCHEMBL9501238

COC(=O)[C@@H]1CCCN1C(=O)CCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.54
ACE P12821 1/20 0.53
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
F2 P00734 1/20 0.47
KLK5 Q9Y337 1/20 0.47
KDM4E B2RXH2 1/20 0.46
FFAR1 O14842 2/20 0.46
CCR8 P51685 1/20 0.45

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
SCHEMBL9500400 0.89 ACE (0.52) FKBP1AACEMEN1KMT2ANPC1
SCHEMBL10508329 0.89 ACE (0.60) FKBP1AACEMEN1KMT2ANPC1
SCHEMBL10508327 0.89 ACE (0.60) FKBP1AACEMEN1KMT2ANPC1
SCHEMBL10507852 0.86 ACE (0.59) FKBP1AACEMEN1KMT2ANPC1
SCHEMBL10507846 0.86 ACE (0.59) FKBP1AACEMEN1KMT2ANPC1
SCHEMBL9501704 0.86 PREP (0.53) FFAR1
SCHEMBL9814639 0.85 ACE (0.56) FKBP1AACEMEN1KMT2ANPC1
SCHEMBL10510787 0.85 ACE (0.58) FKBP1AACEMEN1KMT2ANPC1
SCHEMBL10508467 0.82 ACE (0.62) FKBP1AACERAB9AF2KLK5
SCHEMBL10508472 0.82 ACE (0.62) FKBP1AACERAB9AF2KLK5

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-0232849-B1 PYRROLIDINEAMIDE DERIVATIVE OF ACYLAMINO ACID, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1993-05-05 EP disclosed
US-5198458-A Pyrrolidineamide derivatives of acylamino acid and pharmaceutical composition containing the same SUNTORY LIMITED (JP) 1993-03-30 US disclosed
US-4826870-A CURING AMNESIA SUNTORY LIMITED (JP) 1989-05-02 US disclosed
EP-0232849-A2 Pyrrolidineamide derivative of acylamino acid, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-08-19 EP disclosed