SCHEMBL8517233

SCHEMBL8517233

Cc1ccc(C)c(N2CCN(CCCc3ccccc3CNC(=O)NC(=O)C(C)c3ccccc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 4/20 0.47
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
DRD3 P35462 4/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
HTR7 P34969 3/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL7596123 0.82 ADRA1D (0.64) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL8517234 0.76 MEN1 (0.55) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL8370485 0.76 MEN1 (0.65) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL7602249 0.75 ADRA1D (0.77) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL7597676 0.74 ADRA1D (0.63) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL7603299 0.73 ADRA1D (0.62) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL7596968 0.73 ADRA1D (0.59) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL7597602 0.70 ADRA1D (0.58) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL8371534 0.70 ALDH1A1 (0.60) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL7596145 0.69 ADRA1D (0.56) MEN1KMT2AMAPTDRD2DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 WO disclosed