SCHEMBL9155379

SCHEMBL9155379

CN(C)CCc1[nH]c2ccccc2c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.54
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
OXER1 Q8TDS5 1/20 0.50
HTR1A P08908 3/20 0.49
HTR1B P28222 2/20 0.49
HTR7 P34969 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1F P30939 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
MAOA P21397 1/20 0.48
ADRA1D P25100 1/20 0.48

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
Hydrochloric Acid SCHEMBL9354400 0.99 HTR6 (0.52) HTR6HTR2AHTR2CKDM4ETDP1
SCHEMBL6014774 0.86 KDM4E (0.61) KDM4ETDP1OXER1FOLH1ALDH1A1
SCHEMBL9353789 0.85 NR4A2 (0.57) HTR6HTR2AHTR2CKDM4EHTR1A
SCHEMBL7551694 0.83 OXER1 (0.60) KDM4ETDP1OXER1ALDH1A1MTNR1A
SCHEMBL8782766 0.82 OXER1 (0.66) KDM4ETDP1OXER1ALDH1A1MTNR1A
SCHEMBL17956188 0.81 HTR6 (0.47) HTR6HTR2AHTR2CKDM4EOXER1
SCHEMBL7070059 0.81 OXER1 (0.72) KDM4ETDP1OXER1ALDH1A1MTNR1A
SCHEMBL9353800 0.80 NR4A2 (0.55) HTR6KDM4EOXER1HTR1AHTR1B
SCHEMBL30602834 0.80 KDM4E (0.57) KDM4ETDP1OXER1ALDH1A1
SCHEMBL6964299 0.80 KDM4E (0.57) KDM4ETDP1OXER1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640099-A1 PEPTIDES HAVING TACHYKININ ANTAGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-01 EP disclosed