SCHEMBL6603588

SCHEMBL6603588

C[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)CCN1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.44
EPHX1 P07099 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL30798263 0.86 GPR119 (0.45) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL24718253 0.86 GPR119 (0.45) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL2165760 0.82 HPGD (0.50) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL6971721 0.82 HPGD (0.53) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL17784898 0.82 HPGD (0.53) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL24267253 0.82 HPGD (0.53) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL26959276 0.82 HPGD (0.53) HPGDRECQLEPHX1KDM4EMAPT
Hydrochloric Acid SCHEMBL3962545 0.81 HPGD (0.49) HPGDRECQLEPHX1KDM4EMAPT
Hydrochloric Acid SCHEMBL3278700 0.81 HPGD (0.49) HPGDRECQLEPHX1KDM4EMAPT
SCHEMBL3624752 0.81 RECQL (0.50) HPGDRECQLEPHX1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091956-B1 MUSCARINIC ANTAGONISTS SCHERING CORP (US) 2004-08-04 EP disclosed
US-6451797-B1 PIPERIDINE DERIVATIVES SCHERING CORPORATION 2002-09-17 US disclosed
EP-1091956-A1 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 2001-04-18 EP disclosed
US-6066636-A ALZHEIMER'S DISEASE SCHERING CORPORATION (US) 2000-05-23 US disclosed
WO-2000000488-A1 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 2000-01-06 WO disclosed