SCHEMBL7051852

SCHEMBL7051852

CCCC(N1CCC(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 13/20 0.40
DCUN1D1 Q96GG9 13/20 0.40
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
CCR2 P41597 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH2 P48735 1/20 0.35
EPHX2 P34913 1/20 0.35
MLNR O43193 2/20 0.35

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
SCHEMBL7056211 0.92 UBE2M (0.45) UBE2MDCUN1D1MEN1KMT2AIDH2
SCHEMBL7051602 0.87 KDM4E (0.42) UBE2MDCUN1D1MLNR
SCHEMBL7057845 0.84 UBE2M (0.43) UBE2MDCUN1D1KMT2AMLNR
SCHEMBL7057300 0.78 MLNR (0.43) DCUN1D1MLNR
SCHEMBL7056234 0.77 UBE2M (0.42) UBE2MDCUN1D1
SCHEMBL7055283 0.77 MEN1 (0.49) UBE2MDCUN1D1MEN1KMT2AEPHX2
SCHEMBL7057309 0.76 UBE2M (0.43) UBE2MDCUN1D1MEN1KMT2A
SCHEMBL7056568 0.76 DRD2 (0.58)
SCHEMBL7058776 0.75 CARM1 (0.51) UBE2MDCUN1D1
SCHEMBL7114345 0.74 HRH3 (0.40) MEN1KMT2A

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
WO-2003028725-A1 4-(1-PIPERIDINY)-BUTYLCARBOXAMIDE AS D3 DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO disclosed