SCHEMBL18092203

SCHEMBL18092203

CCC(=O)CN1CCN(c2ccc(N3CCOCC3)cc2C2=CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.37
ALDH1A1 P00352 2/20 0.36
IDH1 O75874 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX2 P34913 1/20 0.33
PRKDC P78527 1/20 0.32
CSF1R P07333 1/20 0.32

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
Hydrochloric Acid SCHEMBL4858136 1.00 LGMN (0.37) LGMNALDH1A1IDH1MEN1KMT2A
Hydrochloric Acid SCHEMBL4857455 0.89 ALDH1A1 (0.40) LGMNALDH1A1KMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL4848631 0.87 DRD2 (0.37) LGMNALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4255006 0.85 KDM4E (0.36) ALDH1A1MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL4858120 0.85 KDM4E (0.36) ALDH1A1MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL4856031 0.85 OPRD1 (0.36) LGMNPRKDC
Hydrochloric Acid SCHEMBL4857827 0.84 KDM4E (0.40) LMNA
Hydrochloric Acid SCHEMBL4853839 0.84 MAPT (0.36) LGMNALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4854981 0.84 EBP (0.35) LMNAHPGDSMN1; SMN2PRKDC
Hydrochloric Acid SCHEMBL4852039 0.83 PRKDC (0.37) LGMNALDH1A1L3MBTL1HPGDPRKDC

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-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed