SCHEMBL6836991

SCHEMBL6836991

CC1(C(=O)N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)CC1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.82

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
SCHEMBL325897 1.00 TACR3 (0.82) TACR3
SCHEMBL6837170 0.91 TACR3 (0.86) TACR3
SCHEMBL326086 0.91 TACR3 (0.86) TACR3
SCHEMBL326560 0.90 TACR3 (1.00) TACR3
SCHEMBL6837081 0.90 TACR3 (1.00) TACR3
SCHEMBL10026137 0.90 TACR3 (1.00) TACR3
SCHEMBL6837235 0.88 TACR3 (1.00) TACR3
SCHEMBL325826 0.88 TACR3 (1.00) TACR3
SCHEMBL10026134 0.87 TACR3 (0.85) TACR3
SCHEMBL6837063 0.87 TACR3 (1.00) TACR3

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
WO-2012004207-A1 (3 -METHYLPYRROLIDIN- 3 - YL) METHYL PYRIDINYL ETHER DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed