SCHEMBL6955458

SCHEMBL6955458

O=S(=O)(c1ccccc1)N1CCCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.90
TACR1 P25103 13/20 0.66

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
SCHEMBL8109487 0.84 TACR2 (0.65) TACR2TACR1
SCHEMBL6950068 0.83 TACR2 (0.90) TACR2TACR1
SCHEMBL6953772 0.80 TACR2 (0.58) TACR2TACR1
SCHEMBL6948623 0.78 TACR2 (0.81) TACR2TACR1
SCHEMBL7131489 0.78 TACR2 (0.90) TACR2TACR1
SCHEMBL6950730 0.78 TACR2 (0.57) TACR2TACR1
SCHEMBL7817856 0.77 TACR1 (0.91) TACR2TACR1
SCHEMBL6955009 0.77 TACR2 (0.91) TACR2TACR1
SCHEMBL6957564 0.76 TACR2 (0.54) TACR2TACR1
SCHEMBL7804677 0.74 TACR1 (1.00) 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 2 patents. 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
US-6242438-B1 3-Azetidinylalkylpiperidines or -pyrrolidines as tachykinin antagonists PFIZER INC. 2001-06-05 US disclosed