SCHEMBL300617

SCHEMBL300617

O=C(O)c1cccc(C2=CCCN(C(=O)CN3CC4CCC(C3)N4c3ncc(F)cn3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.42
SLC6A7 Q99884 1/20 0.35
GRM5 P41594 1/20 0.34
SSTR2 P30874 1/20 0.34
GRIN2B Q13224 6/20 0.33
CPT1A P50416 3/20 0.33
CPT1B Q92523 2/20 0.33
CPT2 P23786 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
HPGDS O60760 1/20 0.32
ENPP2 Q13822 1/20 0.32
RIPK1 Q13546 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 1/20 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
SCHEMBL186615 0.88 GRIN2B (0.42) GRIN2B
SCHEMBL186829 0.74 AOC3 (0.44) CCNT1CDK9MAPK1
SCHEMBL2181332 0.73 USP2 (0.39) GRM5RIPK1
SCHEMBL186614 0.73 PIM1 (0.40) SLC6A7CCNT1CDK9ENPP2MAPK1
SCHEMBL2178411 0.72 DPP4 (0.49)
SCHEMBL2180949 0.72 GRM5 (0.48) GRM5
SCHEMBL300739 0.70 CNR1 (0.45) MAPK1CNR1
SCHEMBL186388 0.69 PARP1 (0.36) GRIN2BCCNT1CDK9MAPK1
SCHEMBL2179315 0.67 MAPT (0.45)
SCHEMBL2177967 0.67 TDO2 (0.46) CCNT1CDK9MAPK1

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 claimed