SCHEMBL7871799

SCHEMBL7871799

[NH]CCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 17/20 0.71
HTR2A P28223 1/20 0.71
TRPM8 Q7Z2W7 1/20 0.71
GPR84 Q9NQS5 1/20 0.69
HTR1A P08908 1/20 0.69
KMT2A Q03164 1/20 0.69
SLC6A4 P31645 4/20 0.63

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
SCHEMBL30969154 0.83 MPO (0.75) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL31620029 0.83 MPO (0.71) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL7845587 0.83 MPO (0.71) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL2406225 0.83 MPO (0.71) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL733767 0.83 MPO (0.71) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL387663 0.83 MPO (1.00) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL8261020 0.83 MPO (0.71) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL517983 0.83 MPO (0.73) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL2122451 0.83 MPO (0.75) MPOHTR2ATRPM8GPR84HTR1A
SCHEMBL29571866 0.83 MPO (0.73) MPOHTR2ATRPM8GPR84HTR1A

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-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed