SCHEMBL7871908

SCHEMBL7871908

O=C(CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.62
TACR1 P25103 9/20 0.62
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 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
SCHEMBL6952533 0.85 TACR2 (0.61) TACR2TACR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9317674 0.85 TACR2 (0.73) TACR2TACR1
Hydrochloric Acid SCHEMBL7871923 0.81 TACR2 (0.69) TACR2TACR1
SCHEMBL7864552 0.81 TACR2 (0.65) TACR2TACR1
SCHEMBL8588638 0.80 TACR2 (0.69) TACR2TACR1
SCHEMBL7873214 0.79 TACR1 (0.59) TACR2TACR1
Hydrochloric Acid SCHEMBL9317762 0.79 TACR2 (0.65) TACR2TACR1
SCHEMBL8479506 0.79 TACR2 (0.72) TACR2TACR1
SCHEMBL7811276 0.78 TACR2 (0.59) TACR2TACR1
SCHEMBL7802957 0.78 TACR2 (0.66) TACR2TACR1

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