SCHEMBL8828883

SCHEMBL8828883

COC(=O)C1(N2CCCNC2=O)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.64
TACR1 P25103 2/20 0.63

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
Citric Acid SCHEMBL8940494 0.94 TACR2 (0.58) TACR2TACR1
SCHEMBL8829018 0.91 TACR2 (0.64) TACR2TACR1
SCHEMBL8828888 0.90 TACR2 (0.66) TACR2TACR1
SCHEMBL8828992 0.89 TACR2 (0.67) TACR2TACR1
SCHEMBL8298997 0.89 TACR2 (0.67) TACR2TACR1
Citric Acid SCHEMBL8940484 0.85 TACR2 (0.58) TACR2TACR1
Citric Acid SCHEMBL9255586 0.84 TACR2 (0.58) TACR2TACR1
Citric Acid SCHEMBL8940423 0.83 TACR2 (0.59) TACR2TACR1
Citric Acid SCHEMBL9050091 0.83 TACR2 (0.61) TACR2TACR1
Hydrochloric Acid SCHEMBL8828903 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677317-A Lactam compounds which are useful in the treatment of asthma ZENECA LIMITED (GB) 1997-10-14 US claimed