SCHEMBL7873296

SCHEMBL7873296

CC(=O)NC1(c2ccccc2)CCN(CCC(CC(=O)N2CCc3ccccc3C2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.63
TACR1 P25103 4/20 0.63
TACR3 P29371 4/20 0.43

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
SCHEMBL7811276 0.88 TACR2 (0.59) TACR2TACR1
SCHEMBL7870009 0.86 TACR2 (0.73) TACR2TACR1TACR3
SCHEMBL14089179 0.83 TACR2 (0.75) TACR2TACR1TACR3
SCHEMBL8798608 0.83 TACR2 (0.54) TACR2TACR1
SCHEMBL6952599 0.82 TACR2 (0.73) TACR2TACR1TACR3
SCHEMBL7870048 0.81 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL7864418 0.80 TACR2 (0.65) TACR2TACR1TACR3
SCHEMBL6588311 0.79 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL7815384 0.79 HTT (0.53)
SCHEMBL6950366 0.78 TACR2 (0.67) TACR2TACR1TACR3

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