SCHEMBL7864552

SCHEMBL7864552

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

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.65
TACR1 P25103 8/20 0.65

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
SCHEMBL7870048 0.88 TACR2 (0.67) TACR2TACR1
Hydrochloric Acid SCHEMBL9318264 0.85 TACR2 (0.78) TACR2TACR1
SCHEMBL8588638 0.84 TACR2 (0.69) TACR2TACR1
SCHEMBL7873763 0.83 TACR2 (0.65) TACR2TACR1
SCHEMBL7802957 0.82 TACR2 (0.66) TACR2TACR1
Hydrochloric Acid SCHEMBL7871923 0.82 TACR2 (0.69) TACR2TACR1
SCHEMBL7812082 0.81 TACR2 (0.62) TACR2TACR1
SCHEMBL7871908 0.81 TACR2 (0.62) TACR2TACR1
Hydrochloric Acid SCHEMBL9317668 0.80 TACR2 (0.83) TACR2TACR1
Hydrochloric Acid SCHEMBL9319134 0.80 TACR2 (0.63) 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