SCHEMBL6026928

SCHEMBL6026928

COc1cccc(OCC(=O)N2CC(C)N(Cc3ccc(F)cc3)C[C@@H]2C)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.61
MAOB P27338 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.44
CPS1 P31327 1/20 0.44
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
NQO2 P16083 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
ACTR2 P61160 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL4589081 1.00 CCR1 (0.61) CCR1MAOBGAAKMT2ACPS1
SCHEMBL4589092 1.00 CCR1 (0.61) CCR1MAOBGAAKMT2ACPS1
SCHEMBL4589085 1.00 CCR1 (0.61) CCR1MAOBGAAKMT2ACPS1
SCHEMBL5056215 0.93 CCR1 (0.64) CCR1KMT2ACPS1MAPK11MAPK14
SCHEMBL5056217 0.93 CCR1 (0.64) CCR1KMT2ACPS1MAPK11MAPK14
SCHEMBL5056222 0.93 CCR1 (0.64) CCR1KMT2ACPS1MAPK11MAPK14
SCHEMBL5055826 0.92 CCR1 (0.61) CCR1KMT2AMAPK11MAPK14MAPK13
SCHEMBL5055828 0.92 CCR1 (0.61) CCR1KMT2AMAPK11MAPK14MAPK13
SCHEMBL5055825 0.92 CCR1 (0.61) CCR1KMT2AMAPK11MAPK14MAPK13
SCHEMBL5064277 0.92 CCR1 (0.63) CCR1MAOBKMT2AMAPK11MAPK14

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-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO disclosed