SCHEMBL22983166

SCHEMBL22983166

C[C@]1(COc2ccc(Cl)cn2)CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.59

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
SCHEMBL1393924 1.00 TACR3 (0.59) TACR3
SCHEMBL6837076 1.00 TACR3 (0.59) TACR3
SCHEMBL10026136 0.79 NR1I2 (0.49)
SCHEMBL321358 0.79 NR1I2 (0.49)
SCHEMBL22983336 0.79 NR1I2 (0.49)
SCHEMBL6837170 0.76 TACR3 (0.86) TACR3
SCHEMBL326086 0.76 TACR3 (0.86) TACR3
SCHEMBL7688199 0.75 TACR3 (0.80) TACR3
SCHEMBL7687583 0.75 TACR3 (1.00) TACR3
SCHEMBL1393945 0.75 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-2021030335-A1 A STEREOISOMERICALLY PURE NK-3 RECEPTOR ANTAGONIST AND CRYSTALLINE FORMS THEREOF MILLENDO THERAPEUTICS, INC. (US) 2021-02-18 WO disclosed