SCHEMBL6421616

SCHEMBL6421616

CC(C)(C)OC(=O)N1CCCC1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 1/20 0.39
PREP P48147 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL1368985 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL584549 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL12824048 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL2683392 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL15909556 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL11099691 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL12235723 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL5155598 0.90 NR1H2 (0.49) NR1H2MEN1KMT2ACYP1A2POLB
SCHEMBL7712036 0.83 NR1H2 (0.44) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL18461567 0.81 CYP1A2 (0.41) NR1H2HPGDMEN1ALDH1A1MAPT

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
JP-2005232006-A PYRROLIDINE DERIVATIVE AND METHOD FOR SYNTHESIZING THE SAME EISAI CO LTD 2005-09-02 JP disclosed
EP-1413574-A4 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE EIZAI CO LTD (JP) 2004-12-08 EP disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 EP disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 EP disclosed
WO-2003011825-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE EIZAI CO.,LTD. (JP) 2003-02-13 WO disclosed