SCHEMBL8940501

SCHEMBL8940501

CN(C[C@@H](CCN1CCC(C(=O)O)(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.71
TACR1 P25103 3/20 0.68
TACR3 P29371 1/20 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
SCHEMBL8940505 1.00 TACR2 (0.71) TACR2TACR1TACR3
SCHEMBL8301071 0.95 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL8940301 0.95 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL8301195 0.93 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL8828884 0.93 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL8298997 0.93 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL8828992 0.93 TACR2 (0.67) TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL8828903 0.92 TACR2 (0.64) TACR2TACR1TACR3
Hydrochloric Acid SCHEMBL8940476 0.92 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL8301140 0.92 TACR2 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed