SCHEMBL8729680

SCHEMBL8729680

COCc1cc(N)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
DPP4 P27487 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
MAOA P21397 1/20 0.38
HSD17B10 Q99714 2/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP3A4 P08684 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL24579570 0.86 PTGDR2 (0.49) PTGDR2DPP4CYP19A1CYP11B1CYP11B2
SCHEMBL791762 0.83 KMT2A (0.39) NPC1RAB9AMAOAHSD17B10GAA
SCHEMBL27656432 0.80 PTGDR2 (0.45) PTGDR2DPP4NPC1RAB9AMAOA
SCHEMBL791730 0.79 FFAR1 (0.51) PTGDR2NPC1RAB9AHSD17B10CYP3A4
SCHEMBL8729686 0.79 DPP4 (0.42) DPP4RAB9AMAOAHSD17B10NCOA1
SCHEMBL3781497 0.78 DPP4 (0.61) PTGDR2DPP4NPC1RAB9AMAOA
SCHEMBL3790106 0.78 PTGDR2 (0.46) PTGDR2DPP4CYP19A1CYP11B1CYP11B2
SCHEMBL29788053 0.77 DPP4 (0.54) DPP4ATRKMT2A
SCHEMBL792032 0.77 DPP4 (0.54) DPP4ATRKMT2A
SCHEMBL29795424 0.77 DPP4 (0.41) PTGDR2DPP4NPC1RAB9AMAOA

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