SCHEMBL6949447

SCHEMBL6949447

COc1ccccc1C(=O)N1CCC(CCOC2CCCCO2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.64
TACR1 P25103 8/20 0.57
HRH1 P35367 3/20 0.46
TACR3 P29371 1/20 0.46

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
SCHEMBL6947096 0.87 TACR2 (0.60) TACR2TACR1HRH1TACR3
SCHEMBL8593203 0.84 TACR2 (0.55) TACR2TACR1HRH1TACR3
SCHEMBL7954893 0.83 HRH1 (0.55) TACR2TACR1HRH1TACR3
SCHEMBL8347632 0.81 TACR2 (0.70) TACR2TACR1HRH1TACR3
SCHEMBL8810091 0.81 TACR2 (0.65) TACR2TACR1HRH1TACR3
SCHEMBL8886812 0.81 TACR2 (0.65) TACR2TACR1HRH1TACR3
SCHEMBL6956796 0.80 TACR2 (0.63) TACR2TACR1HRH1TACR3
SCHEMBL6948617 0.80 TACR2 (0.59) TACR2TACR1HRH1TACR3
SCHEMBL8291262 0.79 CCR5 (0.51) TACR2TACR1
SCHEMBL8292201 0.79 TACR2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871623-B1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2003-02-12 EP disclosed