SCHEMBL23866004

SCHEMBL23866004

CC(C)CN1CCN(c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
GFER P55789 2/20 0.54
LMNA P02545 3/20 0.52
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAD52 P43351 1/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
IGF1R P08069 3/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL14923964 0.86 MAPT (0.59) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL5741708 0.86 MAPT (0.66) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL20251137 0.84 MAPT (0.51) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL10169299 0.84 MAPT (0.68) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL15496525 0.83 HTR1A (0.50) MAPTALDH1A1KDM4EGFERLMNA
SCHEMBL6245192 0.82 IGF1R (0.56) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL12535863 0.82 IGF1R (0.56) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL2767049 0.82 KDM4E (0.61) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL1100438 0.81 ALDH1A1 (0.72) MAPTALDH1A1KDM4EL3MBTL1GFER
SCHEMBL21655007 0.81 MEN1 (0.53) MAPTALDH1A1KDM4EL3MBTL1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed