SCHEMBL4081082

SCHEMBL4081082

CCC(C)C(NC(=O)CCC(=O)NC1CCC(Cc2cccc(C)c2)(N(C)C)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
SSTR4 P31391 2/20 0.40
SSTR1 P30872 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CCR1 P32246 1/20 0.36
ANPEP P15144 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL207763 0.88 CYP2D6 (0.38) SSTR4SSTR1MEN1KMT2AOPRM1
SCHEMBL4079658 0.86 SSTR4 (0.43) SSTR4SSTR1MEN1KMT2AOPRM1
SCHEMBL206824 0.84 L3MBTL1 (0.47) L3MBTL1SSTR4SSTR1MEN1KMT2A
SCHEMBL207190 0.81 ALDH1A1 (0.43) SSTR4SSTR1MEN1KMT2ACYP2D6
SCHEMBL4052851 0.81 KMT2A (0.48) SSTR4SSTR1MEN1KMT2AOPRM1
SCHEMBL5157976 0.80 SSTR4 (0.45) SSTR4SSTR1MEN1KMT2AOPRM1
SCHEMBL206665 0.80 SSTR4 (0.45) SSTR4SSTR1MEN1KMT2AOPRM1
SCHEMBL206981 0.80 DRD4 (0.41) SSTR4SSTR1MEN1KMT2A
SCHEMBL205964 0.80 METAP2 (0.43) SSTR4SSTR1
SCHEMBL206157 0.80 NPC1 (0.46) SSTR4SSTR1MEN1KMT2AOPRM1

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-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed