SCHEMBL7873751

SCHEMBL7873751

CCOC(=O)CC(CCO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
F2 P00734 4/20 0.45
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
FFAR1 O14842 2/20 0.43
PRSS1 P07477 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7728008 0.90 SLC6A3 (0.49) F10F2SLC6A3SLC6A2SLC6A4
SCHEMBL7728006 0.85 FFAR1 (0.50) F10F2SLC6A3SLC6A2SLC6A4
SCHEMBL7871985 0.83 SLC6A3 (0.44) F10F2SLC6A3SLC6A2SLC6A4
SCHEMBL7873870 0.82 ALDH1A1 (0.42) F10SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL8771122 0.81 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL8589980 0.81 SMN1; SMN2 (0.53) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL6699688 0.80 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4FFAR1SMN1; SMN2
SCHEMBL8913116 0.80 PRKCZ (0.49) FFAR1SMN1; SMN2TSHRHTTALDH1A1
SCHEMBL15533196 0.79 SLC6A3 (0.47) F10F2SLC6A3SLC6A2SLC6A4
SCHEMBL15533197 0.79 SLC6A3 (0.47) F10F2SLC6A3SLC6A2SLC6A4

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