SCHEMBL5159218

SCHEMBL5159218

CN(C)C1(CCc2ccccc2)CCC(NC(=O)COc2ccc(Cl)cc2)CC1.COC(=O)CCCC(=O)NC1CCC(Cc2ccccc2)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 3/20 0.46
ADAMTS5 Q9UNA0 4/20 0.42
ADAMTS4 O75173 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.40
ADIPOR2 Q86V24 1/20 0.40
ADIPOR1 Q96A54 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL2972824 0.88 ATF4 (0.59) ATF4ADAMTS5ADAMTS4POLBALDH1A1
SCHEMBL2987483 0.87 ATF4 (0.61) ATF4POLBALDH1A1USP2ADIPOR2
SCHEMBL2989386 0.84 LMNA (0.45) ATF4POLBLMNAEPHX1
SCHEMBL2985381 0.84 OPRM1 (0.48) EPHX2EPHX1
SCHEMBL2978761 0.82 ATF4 (0.65) ATF4POLBALDH1A1LMNA
SCHEMBL2986952 0.81 MEN1 (0.47) ATF4LMNA
SCHEMBL2981366 0.79 EPHX2 (0.50) EPHX2EPHX1
SCHEMBL2976726 0.79 MCHR1 (0.54) POLBSMN1; SMN2
SCHEMBL2977995 0.79 THRB (0.48) SMN1; SMN2EPHX2
SCHEMBL2987178 0.79 ATF4 (0.58) ATF4POLBLMNASMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747191-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION Grünenthal GmbH (DE) 2007-01-31 EP disclosed
WO-2005110975-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION Grünenthal GmbH (DE) 2005-11-24 WO disclosed