SCHEMBL6131854

SCHEMBL6131854

COc1cc(CCN2CCN(c3ccccn3)CC2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.58
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
DRD3 P35462 1/20 0.53
POLB P06746 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL6131990 0.89 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPK1
Hydrochloric Acid SCHEMBL6131775 0.88 ALDH1A1 (0.70) ALDH1A1KDM4ELMNATSHRMAPK1
SCHEMBL6131881 0.84 HTR1A (0.58) HTR1AALDH1A1KDM4ELMNATSHR
Hydrochloric Acid SCHEMBL6131899 0.83 HTR1A (0.57) HTR1AALDH1A1KDM4ELMNATSHR
SCHEMBL6131982 0.83 HTR1A (0.59) HTR1ALMNAADRA1DADRA1AADRA1B
SCHEMBL6131908 0.82 ALDH1A1 (0.58) HTR1AALDH1A1KDM4ELMNATSHR
SCHEMBL6131873 0.82 ALDH1A1 (0.53) HTR1AALDH1A1KDM4ELMNATSHR
SCHEMBL6131974 0.82 NPC1 (0.54) HTR1AALDH1A1KDM4EADRA1DADRA1A
SCHEMBL6131940 0.81 ADRA1D (0.70) HTR1AADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL6132036 0.81 ALDH1A1 (0.57) HTR1AALDH1A1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed