SCHEMBL8405067

SCHEMBL8405067

O=C([C@H](CCO)c1ccccc1)N1CCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR2B P41595 1/20 0.53
CHRM1 P11229 8/20 0.51
EPHX2 P34913 1/20 0.50
HPGD P15428 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
DPP7 Q9UHL4 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MITF O75030 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL8761484 1.00 HTR1A (0.53) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL8655841 0.86 HTR1A (0.52) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL3596195 0.85 CHRM1 (0.55) CHRM1EPHX2HPGDKDM4EMAPT
SCHEMBL9910968 0.84 KCNQ2 (0.56) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL1589765 0.83 HTR1A (0.53) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL12702338 0.83 HTR1A (0.47) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL8405468 0.82 HPGD (0.52) HTR1AHTR1DHTR2BCHRM1HPGD
SCHEMBL10575998 0.82 HTR1A (0.52) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL8761469 0.82 EPHX2 (0.52) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL7351452 0.81 CHRM1 (0.58) CHRM1EPHX2HPGDGAATSHR

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-0664799-B1 AMIDE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1999-07-14 EP disclosed
US-5637701-A Process for preparing optically active amide derivatives JOHN WYETH & BROTHER, LIMITED (GB) 1997-06-10 US disclosed
EP-0664799-A1 AMIDE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-08-02 EP disclosed
WO-1994008983-A1 AMIDE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1994-04-28 WO disclosed