SCHEMBL14850736

SCHEMBL14850736

CN/C(=C\S)c1nnc2n1CCN[C@@H]2C

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.40

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
SCHEMBL14850825 1.00 TACR3 (0.40) TACR3
SCHEMBL3814982 0.74 TACR3 (0.45) TACR3
SCHEMBL930180 0.68 TACR3 (0.54) TACR3
SCHEMBL930821 0.68 TACR3 (0.42) TACR3
SCHEMBL29184116 0.66 TACR3 (0.49) TACR3
SCHEMBL929377 0.66 TACR3 (0.49) TACR3
SCHEMBL5231477 0.63 TACR3 (0.46) TACR3
SCHEMBL928185 0.61 TACR3 (0.57) TACR3
SCHEMBL14844512 0.60 TACR3 (0.52) TACR3
SCHEMBL930711 0.60 TACR3 (0.59) 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-2013050424-A1 NOVEL CHIRAL N-ACYL-5,6,7,(8-SUBSTITUTED)-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS SELECTIVE NK-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR USE IN NK-3 RECEPTOR MEDIATED DISORDERS AND CHIRAL SYNTHESIS THEREOF EUROSCREEN S.A. (BE) 2013-04-11 WO disclosed