SCHEMBL8437859

SCHEMBL8437859

CN(C[C@@H](CCN1CCC(N2CCNC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.74

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
SCHEMBL7047293 1.00 TACR2 (0.74) TACR2
Hydrochloric Acid SCHEMBL7046796 0.99 TACR2 (0.73) TACR2
Hydrochloric Acid SCHEMBL7046797 0.99 TACR2 (0.73) TACR2
SCHEMBL29395251 0.95 TACR2 (0.72) TACR2
SCHEMBL1387902 0.95 TACR2 (0.72) TACR2
SCHEMBL1387904 0.95 TACR2 (0.72) TACR2
Hydrochloric Acid SCHEMBL5813499 0.94 TACR2 (0.71) TACR2
Hydrochloric Acid SCHEMBL6057713 0.94 TACR2 (0.71) TACR2
SCHEMBL9217768 0.94 TACR2 (0.71) TACR2
Hydrochloric Acid SCHEMBL7045673 0.94 TACR2 (0.70) TACR2

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-5990130-A NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS ZENECA LIMITED (GB) 1999-11-23 US claimed