SCHEMBL9027765

SCHEMBL9027765

Cc1ccc(C)c([C@@]2(CCOS(C)(=O)=O)CCCN(C(=O)Cc3cccc(OC(C)C)c3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
POLB P06746 1/20 0.40
BRS3 P32247 1/20 0.38

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
SCHEMBL9027026 0.95 TACR2 (0.46) TACR2TACR1BRS3
SCHEMBL9028755 0.90 TACR2 (0.48) TACR2TACR1POLB
SCHEMBL9027580 0.88 TACR2 (0.49) TACR2TACR1
SCHEMBL8885397 0.85 TACR2 (0.53) TACR2TACR1BRS3
SCHEMBL9027989 0.84 TACR2 (0.48) TACR2TACR1
SCHEMBL9027216 0.84 TACR2 (0.51) TACR2TACR1
SCHEMBL9028189 0.83 TACR2 (0.60) TACR2TACR1
SCHEMBL8366587 0.83 TACR2 (0.60) TACR2TACR1
SCHEMBL9027911 0.83 TACR2 (0.60) TACR2TACR1
SCHEMBL8882191 0.83 TACR2 (0.54) 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-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed