SCHEMBL6984664

SCHEMBL6984664

O=C1CC[C@](CC2OCCO2)(c2ccc(Cl)c(Cl)c2)CN1C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.61
TACR2 P21452 7/20 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
SCHEMBL6984751 0.84 TACR1 (0.47) TACR1TACR2
SCHEMBL6984627 0.84 TACR1 (0.47) TACR1TACR2
SCHEMBL7564301 0.80 TACR2 (0.58) TACR1TACR2
SCHEMBL7564297 0.80 TACR2 (0.58) TACR1TACR2
SCHEMBL7555122 0.80 TACR1 (0.59) TACR1TACR2
SCHEMBL7555128 0.80 TACR1 (0.59) TACR1TACR2
SCHEMBL7563358 0.77 TACR2 (0.63) TACR1TACR2
SCHEMBL7563350 0.77 TACR2 (0.63) TACR1TACR2
SCHEMBL5901167 0.75 TACR1 (0.40) TACR1TACR2
SCHEMBL28270989 0.75 HSD11B1 (0.39) TACR1

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-0962457-B1 Piperidones as tachykinin antagonists PFIZER LTD (GB) 2003-08-06 EP disclosed