SCHEMBL7589379

SCHEMBL7589379

CC(C)(C)OC(=O)N1C(=O)CCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
RIPK1 Q13546 6/20 0.49
GPR119 Q8TDV5 1/20 0.44
RORC P51449 2/20 0.42
ABCB1 P08183 1/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL10061592 0.88 RIPK1 (0.61) RIPK1GPR119RORCABCB1NR1H2
SCHEMBL15850701 0.88 RIPK1 (0.61) RIPK1GPR119RORCABCB1NR1H2
SCHEMBL248353 0.88 RIPK1 (0.61) RIPK1GPR119RORCABCB1NR1H2
SCHEMBL27528621 0.86 RORC (0.46) L3MBTL1RORCNR1H2NR1H3
SCHEMBL29779454 0.86 RORC (0.46) L3MBTL1RORCNR1H2NR1H3
SCHEMBL29779329 0.86 RORC (0.46) L3MBTL1RORCNR1H2NR1H3
SCHEMBL22039428 0.86 HTR7 (0.42) L3MBTL1RORCMEN1KMT2A
SCHEMBL7236411 0.86 HTR7 (0.42) L3MBTL1RORCMEN1KMT2A
SCHEMBL3738709 0.86 ESR2 (0.40) L3MBTL1RIPK1GPR119NR1H2NR1H3
SCHEMBL13701096 0.85 YAP1 (0.47)

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
CN-1198800-C 2- (2-chlorophenyl) -3, 4-dihydro-2H-pyrrole derivatives BAYER AG (DE) 2005-04-27 CN disclosed
WO-2002081489-A1 PALLADIUM-COMPLEXES BASED ON PYRROLINE-METAL COMPLEXES BAYER CROPSCIENCE AG (DE) 2002-10-17 WO disclosed
CN-1323304-A 2-hetaryl-3,4-dihydro-2h-pyrrole derivatives BAYER AG (DE) 2001-11-21 CN disclosed
CN-1309636-A 2-(2-chlorophenyl)-3,4-dihydro-2H-pyrrol derivs. BAYER AG (DE) 2001-08-22 CN disclosed