SCHEMBL4772059

SCHEMBL4772059

CCN(CC)CCN1C[C@H](C(=O)c2cccc(O)c2)C(c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.35
OPRD1 P41143 5/20 0.35
OPRK1 P41145 2/20 0.35
KDR P35968 2/20 0.35
HDAC4 P56524 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM2B Q8NHM5 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 3/20 0.32

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
SCHEMBL4029041 0.90 KDM4E (0.38) OPRM1OPRD1OPRK1KDRALDH1A1
SCHEMBL4780110 0.89 OPRM1 (0.33) OPRM1OPRD1OPRK1KDM2BMEN1
SCHEMBL4027439 0.89 OPRM1 (0.35) OPRM1OPRD1OPRK1ALDH1A1DRD2
SCHEMBL4027446 0.89 OPRM1 (0.35) OPRM1OPRD1OPRK1ALDH1A1DRD2
SCHEMBL4779051 0.88 KDM4E (0.36) OPRM1OPRD1OPRK1KDRALDH1A1
SCHEMBL4024525 0.87 MEN1 (0.35) OPRM1OPRD1OPRK1ALDH1A1KDM2B
SCHEMBL13720775 0.87 MEN1 (0.35) OPRM1OPRD1OPRK1ALDH1A1KDM2B
SCHEMBL4024540 0.87 MEN1 (0.35) OPRM1OPRD1OPRK1ALDH1A1KDM2B
SCHEMBL4020633 0.87 MEN1 (0.35) OPRM1OPRD1OPRK1KDM2BMEN1
SCHEMBL4028045 0.87 OPRM1 (0.35) OPRM1OPRD1OPRK1KCNH2KDM2B

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-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed