SCHEMBL7312740

SCHEMBL7312740

CCC(=O)OC1(c2ccccc2)CCN(CCCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.68
TACR1 P25103 2/20 0.68

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
Hydrochloric Acid SCHEMBL7745899 0.99 TACR2 (0.67) TACR2TACR1
SCHEMBL7303282 0.86 TACR2 (0.90) TACR2TACR1
Hydrochloric Acid SCHEMBL7745911 0.85 TACR2 (0.88) TACR2TACR1
Hydrochloric Acid SCHEMBL8368122 0.81 TACR2 (0.72) TACR2TACR1
Hydrochloric Acid SCHEMBL8364900 0.81 TACR2 (0.72) TACR2TACR1
SCHEMBL8870973 0.81 TACR2 (1.00) TACR2TACR1
SCHEMBL8367922 0.80 TACR2 (0.82) TACR2TACR1
Hydrochloric Acid SCHEMBL9319119 0.80 TACR2 (0.98) TACR2TACR1
Saredutant SCHEMBL185911 0.80 TACR2 (1.00) TACR2TACR1
Saredutant SCHEMBL676170 0.80 TACR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed