SCHEMBL6937101

SCHEMBL6937101

C=CCN1C(=O)[C@H](C)NC(=O)[C@H]1C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
VRK1 Q99986 1/20 0.31

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
SCHEMBL8930546 1.00 MAPT (0.51) MAPTL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL20187930 0.76 MAPT (0.40) MAPTL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL20188285 0.76 MAPT (0.40) MAPTL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL20187928 0.76 MAPT (0.40) MAPTL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL8726551 0.72 MAPT (0.71) MAPTL3MBTL1MEN1KMT2ACYP3A4
SCHEMBL21237286 0.71 TSHR (0.32) MAPTL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL24403839 0.70 PIK3CD (0.35)
SCHEMBL4597179 0.68 EHMT2 (0.49) MEN1KMT2ACYP3A4ALDH1A1HTT
SCHEMBL102314 0.68 EHMT2 (0.49) MEN1KMT2ACYP3A4ALDH1A1HTT
SCHEMBL4187223 0.68 EHMT2 (0.49) MEN1KMT2ACYP3A4ALDH1A1HTT

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-0649414-B1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES ARDENT PHARMACEUTICALS INC (US) 2003-04-16 EP disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 WO disclosed