SCHEMBL8729686

SCHEMBL8729686

COCc1ccccc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
ATR Q13535 1/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 3/20 0.39
KCNN4 O15554 1/20 0.39
PDK2 Q15119 1/20 0.38
FABP7 O15540 1/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
HTR7 P34969 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TACR1 P25103 1/20 0.36
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL29788053 0.84 DPP4 (0.54) DPP4ATRFFAR1FFAR4KCNN4
SCHEMBL792032 0.84 DPP4 (0.54) DPP4ATRFFAR1FFAR4KCNN4
SCHEMBL1338590 0.83 FFAR1 (0.46) DPP4FFAR1FFAR4KCNN4PDK2
SCHEMBL4453918 0.83 ABL1 (0.51) DPP4FFAR1FFAR4KCNN4PDK2
SCHEMBL24196076 0.81 FFAR4 (0.39) DPP4ATRFFAR1FFAR4KCNN4
SCHEMBL10252337 0.81 FFAR1 (0.48) DPP4FFAR1FFAR4KCNN4PDK2
SCHEMBL734879 0.80 KCNN4 (0.46) DPP4ATRCYP3A4TDP1TAAR1
SCHEMBL8729680 0.79 PTGDR2 (0.42) DPP4ATRCYP3A4TDP1TAAR1
SCHEMBL24579570 0.79 PTGDR2 (0.49) DPP4ATRCYP3A4TDP1TAAR1
SCHEMBL2785442 0.79 DPP4 (0.47) DPP4CYP3A4TDP1TAAR1HSD17B10

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-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed