SCHEMBL11289689

SCHEMBL11289689

O=C(Cc1ccccc1)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
SIGMAR1 Q99720 2/20 0.65
DRD3 P35462 5/20 0.63
DRD2 P14416 4/20 0.63
LMNA P02545 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR1A P08908 3/20 0.55
CHRM4 P08173 1/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HTR2A P28223 2/20 0.54
HTR2C P28335 1/20 0.54

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
SCHEMBL11286375 0.94 MEN1 (0.59) POLBSIGMAR1DRD3DRD2LMNA
SCHEMBL11290092 0.92 LMNA (0.57) POLBSIGMAR1DRD3DRD2LMNA
SCHEMBL11280042 0.88 LMNA (0.74) POLBDRD3LMNAKMT2AMEN1
SCHEMBL11431119 0.86 DRD3 (0.60) POLBSIGMAR1DRD3DRD2LMNA
SCHEMBL11286122 0.85 DRD3 (0.56) POLBSIGMAR1DRD3DRD2LMNA
Hydrochloric Acid SCHEMBL11156556 0.85 ALDH1A1 (0.60) POLBSIGMAR1DRD3DRD2LMNA
SCHEMBL8272367 0.85 DRD3 (0.60) POLBSIGMAR1DRD3DRD2LMNA
Fluprazine SCHEMBL2110425 0.83 DRD2 (0.62) POLBSIGMAR1DRD3DRD2LMNA
Fluprazine SCHEMBL29445768 0.83 DRD2 (0.62) POLBSIGMAR1DRD3DRD2LMNA
SCHEMBL8272365 0.83 ALDH1A1 (0.63) POLBSIGMAR1DRD3DRD2LMNA

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-0048045-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 EP disclosed