SCHEMBL7670985

SCHEMBL7670985

C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.91

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
SCHEMBL1393950 0.95 TACR3 (1.00) TACR3
SCHEMBL6837063 0.95 TACR3 (1.00) TACR3
SCHEMBL7688769 0.92 TACR3 (1.00) TACR3
SCHEMBL327311 0.92 TACR3 (1.00) TACR3
SCHEMBL6837267 0.91 TACR3 (1.00) TACR3
SCHEMBL1394625 0.91 TACR3 (1.00) TACR3
SCHEMBL6837146 0.90 TACR3 (0.81) TACR3
SCHEMBL1394059 0.90 TACR3 (1.00) TACR3
SCHEMBL7684383 0.90 TACR3 (1.00) TACR3
SCHEMBL327565 0.88 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