SCHEMBL7370271

SCHEMBL7370271

O=C(O)CN(CCc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 3/20 0.51
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MLYCD O95822 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 2/20 0.45
S1PR1 P21453 1/20 0.44
GRK5 P34947 1/20 0.44
CDK8 P49336 1/20 0.44
S1PR5 Q9H228 1/20 0.44
ACP3 P15309 1/20 0.44
ALOX5 P09917 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL7374440 0.84 ALOX5 (0.58) FFAR1KMT2AMAPTTDP1MLYCD
SCHEMBL365336 0.78 FFAR1 (0.70) FFAR1FFAR4KMT2AMAPTHDAC1
Hydrochloric Acid SCHEMBL30765594 0.77 FFAR1 (0.68) FFAR1FFAR4KMT2AMAPTHDAC1
SCHEMBL2449093 0.77 KEAP1 (0.61) FFAR1FFAR4KMT2AMAPTTDP1
SCHEMBL1981615 0.76 FFAR4 (0.59) FFAR1FFAR4KMT2AMAPTHDAC1
SCHEMBL11755472 0.74 HDAC1 (0.60) FFAR1FFAR4KMT2AMAPTHDAC1
SCHEMBL31688598 0.74 KMT2A (0.47) FFAR1FFAR4KMT2AMAPTTDP1
SCHEMBL8491974 0.74 TAAR1 (0.61) FFAR1FFAR4KMT2AMAPTHDAC1
SCHEMBL11383498 0.73 TAAR1 (0.65) KMT2AMAPTHDAC1HDAC8MEN1
SCHEMBL28423545 0.73 FFAR4 (0.53) FFAR1FFAR4KMT2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724446-A4 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES DU PONT MERCK PHARMA (US) 1998-01-07 EP claimed
EP-0724446-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-07 EP claimed
WO-1995009634-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO claimed
EP-0724446-A4 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES DU PONT MERCK PHARMA (US) 1998-01-07 EP disclosed
EP-0724446-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-07 EP disclosed
WO-1995009634-A1 ELECTROPHILIC PEPTIDE ANALOGS AS INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO disclosed