SCHEMBL4413490

SCHEMBL4413490

CCN(CCO)c1ccc(C(=O)NCC2C3CN(Cc4ccc(C(C)(C)C)cc4)CC23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX2 P34913 11/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CACNA1H O95180 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ESRRG P62508 2/20 0.41
NR1H4 Q96RI1 9/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ESRRB O95718 1/20 0.40
CYP2C9 P11712 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
SCHEMBL4413492 0.85 ALDH1A1 (0.40) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL4412087 0.78 MAPT (0.57) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL4425012 0.77 ALDH1A1 (0.53) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL4418919 0.76 MAPT (0.53) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL2168317 0.75 GFER (0.39) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL18887281 0.74 MAPT (0.34) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL4430223 0.73 HRH3 (0.52) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL4420887 0.72 USP30 (0.49) KDM4EALDH1A1MAPTRAB9AKMT2A
SCHEMBL4418867 0.70 KDM4E (0.34) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL4417470 0.70 OPRM1 (0.44) KDM4EALDH1A1MAPTRAB9AMEN1

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-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP disclosed