SCHEMBL8545864

SCHEMBL8545864

CC(CCl)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
ALDH1A1 P00352 1/20 0.57
BLM P54132 1/20 0.54
EPHX1 P07099 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
MGLL Q99685 1/20 0.50
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC18A3 Q16572 1/20 0.48

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
SCHEMBL8539143 0.87 ACHE (0.60) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL14593670 0.83 ACHE (0.56) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL2603247 0.83 ACHE (0.68) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL7320518 0.82 ACHE (0.66) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL9785683 0.81 ACHE (0.60) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL9785724 0.81 ACHE (0.64) ACHEALDH1A1BLMEPHX1L3MBTL3
Hydrochloric Acid SCHEMBL9785687 0.79 ACHE (0.62) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL22875318 0.79 BLM (0.56) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL10871010 0.78 ACHE (0.60) ACHEALDH1A1BLMEPHX1L3MBTL3
SCHEMBL7288362 0.78 ACHE (0.60) ACHEALDH1A1BLMEPHX1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed