SCHEMBL18944409

SCHEMBL18944409

C=C/C=C(C#N)\C=C/CCC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL14616046 0.84
SCHEMBL18944410 0.79 TAS1R3 (0.33) TAS1R3TAS1R1
SCHEMBL12534616 0.73
SCHEMBL14143879 0.71 TSHR (0.36) TSHRTAS1R3TAS1R1
SCHEMBL24894688 0.70
SCHEMBL19140737 0.69 TSHR (0.35) TSHRTAS1R3TAS1R1
SCHEMBL13816390 0.69 TAS1R3 (0.36) TSHRTAS1R3TAS1R1
SCHEMBL25448324 0.69 TSHR (0.35) TSHRTAS1R3TAS1R1
SCHEMBL27096662 0.69 PTPN1 (0.34) TSHR
SCHEMBL22785958 0.69 ALDH1A1 (0.32) TSHR

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
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed