SCHEMBL8308100

SCHEMBL8308100

CC(C)Oc1cccc(CC(=O)N2CCCC(CCS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.61
TACR2 P21452 2/20 0.61
CCR5 P51681 1/20 0.44
TACR3 P29371 1/20 0.42

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
SCHEMBL8366587 0.90 TACR2 (0.60) TACR1TACR2CCR5TACR3
SCHEMBL9027911 0.90 TACR2 (0.60) TACR1TACR2CCR5TACR3
SCHEMBL9028189 0.90 TACR2 (0.60) TACR1TACR2CCR5TACR3
SCHEMBL7956505 0.90 TACR2 (0.65) TACR1TACR2CCR5
SCHEMBL8953928 0.88 TACR1 (0.59) TACR1TACR2CCR5TACR3
SCHEMBL5134674 0.88 TACR2 (0.62) TACR1TACR2CCR5
SCHEMBL8953983 0.87 TACR2 (0.64) TACR1TACR2
SCHEMBL8953856 0.87 TACR2 (0.61) TACR1TACR2CCR5TACR3
SCHEMBL8882429 0.85 TACR2 (0.65) TACR1TACR2
SCHEMBL8883479 0.85 TACR2 (0.65) TACR1TACR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed