SCHEMBL186157

SCHEMBL186157

Cc1cccc(C2=CCN(CC(=O)N3CC4CCC(C3)N4c3cnccn3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 5/20 0.38
CDK9 P50750 7/20 0.37
CCNT1 O60563 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GRIN1 Q05586 1/20 0.37
ADAM10 O14672 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL186390 0.93 NAMPT (0.40) KMT2AGRIN2BADAM10MMP1MMP2
SCHEMBL186475 0.82 CCR2 (0.40) GRIN2BKDM4EGRIN1NAMPT
SCHEMBL186594 0.77 MEN1 (0.40) KMT2AGRIN2BCDK9CCNT1GRIN1
SCHEMBL186236 0.76 TRPV1 (0.39) GRIN2BMAPTNAMPTALDH1A1
SCHEMBL187256 0.72 KDM4E (0.41) GRIN2BKDM4EMAPTGRIN1
SCHEMBL186303 0.72 ALDH1A1 (0.42) KMT2AGRIN2BKDM4EMAPTGRIN1
SCHEMBL186850 0.70 CCR2 (0.40) GRIN2BGRIN1NAMPT
SCHEMBL186248 0.70 CCR2 (0.41) GRIN2BGRIN1NAMPT
SCHEMBL186245 0.68 CCR2 (0.42) KMT2AGRIN2BKDM4EGRIN1ALDH1A1
SCHEMBL186206 0.68 SLC6A7 (0.44) KMT2AGRIN2BKDM4EMAPTGRIN1

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-2297148-B1 NOVEL DERIVATIVES OF (BRIDGED PIPERAZINYL)-1-ALCANONE AND USE THEREOF AS P75 INHIBITORS SANOFI SA (FR) 2012-01-04 EP disclosed