SCHEMBL20148966

SCHEMBL20148966

Fc1cccc(F)c1-c1ccc(C2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC18A3 Q16572 2/20 0.47
DRD2 P14416 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL6023725 0.81 MEN1 (0.68) CCR5MEN1KMT2ASLC18A3DRD2
SCHEMBL3598146 0.81 MEN1 (0.68) CCR5MEN1KMT2ASLC18A3DRD2
SCHEMBL22755777 0.81 MEN1 (0.68) CCR5MEN1KMT2ASLC18A3DRD2
SCHEMBL8844209 0.79 MEN1 (0.57) CCR5MEN1KMT2ASLC18A3DRD2
SCHEMBL28305302 0.79 KDM4E (0.58) MEN1KMT2ADRD2SIGMAR1DRD4
SCHEMBL6902946 0.79 MEN1 (0.74) CCR5MEN1KMT2ADRD2SIGMAR1
SCHEMBL19493714 0.77 SLC18A3 (0.70) CCR5MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL25890035 0.77 ACHE (0.60) CCR5MEN1KMT2A
SCHEMBL20148958 0.77 ACHE (0.60) CCR5MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL22795424 0.77 CNR2 (0.60) SLC18A3DRD2SIGMAR1DRD4DRD3

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-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed