SCHEMBL8370485

SCHEMBL8370485

Cc1ccc(C)c(N2CCN(CCCc3ccccc3CC(=O)NNC(=O)Cc3ccccc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
DRD3 P35462 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 8/20 0.48
TP53 P04637 4/20 0.48
POLB P06746 3/20 0.48
HTR7 P34969 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL8371534 0.78 ALDH1A1 (0.60) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL8517233 0.76 MEN1 (0.52) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7596145 0.75 ADRA1D (0.56) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL8371535 0.75 MEN1 (0.65) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7599522 0.73 MEN1 (0.56) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL8370486 0.73 MEN1 (0.53) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7596968 0.72 ADRA1D (0.59) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7602227 0.70 MEN1 (0.55) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7602599 0.70 KMT2A (0.55) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7601974 0.70 DRD2 (0.61) MEN1KMT2ADRD2DRD4DRD3

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