SCHEMBL5770204

SCHEMBL5770204

CCCCOC(=O)N1CCC(N[C@@H](C)c2ccccc2)C(CO)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.44
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
P2RY12 Q9H244 5/20 0.39
TSHR P16473 1/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSB P07858 1/20 0.38
NPY2R P49146 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL5768400 0.85 CTSK (0.43) CTSKPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL26621725 0.83 GAA (0.41) POLBNPC1
SCHEMBL26621535 0.83 GAA (0.41) POLBNPC1
SCHEMBL26621723 0.83 GAA (0.41) POLBNPC1
SCHEMBL26621532 0.83 GAA (0.41) POLBNPC1
SCHEMBL2342730 0.82 GPR119 (0.49) NPC1RAB9APRMT5WDR77
SCHEMBL3341010 0.82 GPR119 (0.49) NPC1RAB9APRMT5WDR77
SCHEMBL3736472 0.82 GPR119 (0.49) NPC1RAB9APRMT5WDR77
SCHEMBL3736475 0.82 GPR119 (0.49) NPC1RAB9APRMT5WDR77
SCHEMBL7199941 0.80 NPY2R (0.48) POLBNPC1RAB9ASMN1; SMN2LMNA

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-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed