SCHEMBL1448716

SCHEMBL1448716

CCC1(C(=O)OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
SIRT2 Q8IXJ6 12/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
NMBR P28336 1/20 0.37
CCR5 P51681 1/20 0.36

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
SCHEMBL4450314 0.90 SIRT2 (0.42) SIRT2NMBR
SCHEMBL1448717 0.88 LMNA (0.41) TACR1SIRT2OPRD1OPRK1
SCHEMBL4301302 0.84 TACR1 (0.42) TACR1SIRT2OPRD1OPRK1CKS1B
SCHEMBL14433203 0.81 GPR119 (0.46)
SCHEMBL22014536 0.80 TACR1 (0.48) TACR1OPRD1OPRK1
SCHEMBL7181950 0.76 ACKR3 (0.45) CKS1BSKP1SKP2
SCHEMBL947677 0.76 KDM4E (0.49)
SCHEMBL27688784 0.74 TACR1 (0.41) TACR1OPRD1OPRK1
SCHEMBL16445132 0.74 GPR119 (0.41) TACR1OPRD1OPRK1
SCHEMBL22770414 0.74 POLB (0.46) OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450332-B2 LIMK2 inhibitors, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
EP-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed