SCHEMBL7366692

SCHEMBL7366692

CC(C)(C)OC(=O)N1CCC(CCN2CCN(c3ccc(O)cc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.59
TGFBR1 P36897 3/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
NAMPT P43490 1/20 0.47
PKM P14618 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL13757755 0.90 GPR119 (0.58) GPR119TGFBR1LMNAMAPTALDH1A1
SCHEMBL27035718 0.89 GPR119 (0.65) GPR119TGFBR1LMNAMAPTKDM4E
SCHEMBL4504053 0.89 GPR119 (0.60) GPR119TGFBR1LMNAMAPTKDM4E
SCHEMBL4515782 0.88 GPR119 (0.74) GPR119TGFBR1LMNAMAPTKDM4E
SCHEMBL4509519 0.88 GPR119 (0.58) GPR119TGFBR1DRD2DRD3
SCHEMBL13757744 0.87 GPR119 (0.55) GPR119TGFBR1LMNAMAPTNAMPT
SCHEMBL4514525 0.87 GPR119 (0.74) GPR119TGFBR1
SCHEMBL4522460 0.87 GPR119 (0.55) GPR119TGFBR1LMNAMAPTALDH1A1
SCHEMBL4513931 0.86 GPR119 (0.61) GPR119TGFBR1LMNAMAPTALDH1A1
SCHEMBL4518131 0.86 PTPN2 (0.62) GPR119TGFBR1LMNAMAPTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed