SCHEMBL27673243

SCHEMBL27673243

O=C(NCc1cncn1CN1CCC(c2cc(F)c(F)c(F)c2)C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD4 P21917 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
KDM1A O60341 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 2/20 0.36
ACKR3 P25106 1/20 0.35
USP5 P45974 2/20 0.35
ACHE P22303 1/20 0.35
MCHR1 Q99705 1/20 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
SCHEMBL31332476 0.64 ERCC1 (0.58) ALDH1A1LMNAGAAHDAC6
SCHEMBL2948765 0.62 MPO (0.31)
SCHEMBL6711151 0.60 ADRA1A (0.55)
SCHEMBL5644578 0.59 GAA (0.52) ALDH1A1KMT2ALMNAGAAHDAC6
SCHEMBL20394970 0.59 RAB9A (0.71) ALDH1A1SMN1; SMN2KMT2AGAAKDM1A
SCHEMBL5577650 0.58 MEN1 (0.62) DRD2ALDH1A1KMT2AGAAHDAC6
SCHEMBL22415834 0.58 CTSC (0.42) DRD2DRD4SLC6A2SLC6A4KDM1A
SCHEMBL12255557 0.58 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAGAAMEN1
SCHEMBL3460904 0.57 EPHX2 (0.57) ALDH1A1KMT2AGAAMEN1
SCHEMBL21139472 0.56 NAMPT (0.55) SMN1; SMN2KMT2ALMNAGAAMEN1

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
CN-1906160-A Imidazole derivatives, processes for preparing them and their uses UCB SA (BE) 2007-01-31 CN claimed