SCHEMBL8885672

SCHEMBL8885672

CC(C)Oc1cccc(CC(=O)N2C[C@H](CCOS(C)(=O)=O)CC2c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.38
TACR2 P21452 5/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL8885666 1.00 TACR1 (0.38) TACR1TACR2OPRK1
SCHEMBL7954472 0.73 UTS2R (0.48) TACR1TACR2OPRK1
SCHEMBL29790470 0.70 PPARA (0.54) TACR1TACR2
SCHEMBL8882429 0.70 TACR2 (0.65) TACR1TACR2
SCHEMBL8883479 0.70 TACR2 (0.65) TACR1TACR2
SCHEMBL8592345 0.70 TACR2 (0.65) TACR1TACR2
SCHEMBL9028189 0.69 TACR2 (0.60) TACR1TACR2
SCHEMBL9027911 0.69 TACR2 (0.60) TACR1TACR2
SCHEMBL8366587 0.69 TACR2 (0.60) TACR1TACR2
SCHEMBL8953928 0.68 TACR1 (0.59) TACR1TACR2

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-5607947-A Pyrrolidinyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1997-03-04 US disclosed