SCHEMBL6547111

SCHEMBL6547111

COc1ccccc1N1CCN(CC(N)c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 2/20 0.53
DRD2 P14416 7/20 0.53
DRD3 P35462 4/20 0.53
ADRA1A P35348 3/20 0.53
RECQL P46063 1/20 0.52
IGF1R P08069 1/20 0.51
HTR1A P08908 4/20 0.51
DRD4 P21917 1/20 0.51
LMNA P02545 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTR2A P28223 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HIF1A Q16665 2/20 0.50
HTT P42858 2/20 0.50
NR1I2 O75469 1/20 0.50
NR3C1 P04150 1/20 0.50

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
SCHEMBL10753828 0.86 IGF1R (0.63) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL10756919 0.83 DRD2 (0.52) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6930796 0.82 DRD2 (0.59) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL7537267 0.82 DRD2 (0.62) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL7542132 0.82 DRD2 (0.62) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6069904 0.81 MAPT (0.51) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6070007 0.81 MAPT (0.51) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL6934504 0.81 HTR1A (0.62) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL8445548 0.81 HTR1A (0.62) MAPTALDH1A1DRD2DRD3ADRA1A
SCHEMBL9300157 0.81 HTR1A (0.62) MAPTALDH1A1DRD2DRD3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906100-B1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI CHEM PHARM (CH) 2004-01-28 EP disclosed
EP-0906100-A1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1999-04-07 EP disclosed
WO-1997031637-A1 USE OF 5-HT1A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-09-04 WO disclosed