SCHEMBL6955009

SCHEMBL6955009

COc1ccccc1C(=O)N1CCCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.91
TACR1 P25103 11/20 0.60

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
SCHEMBL6950068 0.86 TACR2 (0.90) TACR2TACR1
SCHEMBL9027981 0.85 TACR2 (0.68) TACR2TACR1
SCHEMBL8882421 0.82 TACR2 (0.74) TACR2TACR1
SCHEMBL8882432 0.82 TACR2 (0.74) TACR2TACR1
SCHEMBL6948623 0.82 TACR2 (0.81) TACR2TACR1
SCHEMBL6956796 0.82 TACR2 (0.63) TACR2TACR1
SCHEMBL7131489 0.80 TACR2 (0.90) TACR2TACR1
SCHEMBL6948617 0.80 TACR2 (0.59) TACR2TACR1
SCHEMBL9028577 0.78 TACR2 (0.58) TACR2TACR1
SCHEMBL6949447 0.77 TACR2 (0.64) 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