SCHEMBL1023211

SCHEMBL1023211

COC(=O)CC1CCN(C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
LTA4H P09960 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DGAT1 O75907 1/20 0.31
EPHX1 P07099 1/20 0.31
LMNA P02545 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
SCHEMBL6056604 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ATMEPHX2MEN1KMT2A
SCHEMBL1717843 0.83 POLB (0.38) KMT2ATSHRALDH1A1DGAT1LMNA
SCHEMBL8790493 0.82 BRD4 (0.38) BRD4LTA4HDRD2DRD4SMN1; SMN2
SCHEMBL6259294 0.79 AKR1C3 (0.40) ATMEPHX1
SCHEMBL2864044 0.79 BRD4 (0.50) BRD4LTA4HSMN1; SMN2
SCHEMBL1717888 0.79 ITGB3 (0.39)
SCHEMBL23277738 0.79 MAP4K4 (0.39) EPHX2KMT2AEPHX1LMNA
SCHEMBL26647720 0.78 BRD4 (0.50) BRD4LTA4HSMN1; SMN2EPHX2KMT2A
SCHEMBL24197361 0.78 BRD4 (0.50) BRD4LTA4HSMN1; SMN2EPHX2KMT2A
SCHEMBL2036054 0.78

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-4284505-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE Pfizer Ireland Pharmaceuticals (IE) 2023-12-06 EP disclosed
EP-3303334-A1 TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2018-04-11 EP disclosed
WO-2016196840-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2016-12-08 WO disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed