SCHEMBL24685754

SCHEMBL24685754

C=C(CCCC)NCC(C)CCC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
EPHX1 P07099 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
SCHEMBL21912193 0.85 ACE2 (0.41) EPHX1
SCHEMBL21291218 0.82 EPHX1 (0.44) EPHX1
SCHEMBL23696755 0.76 EPHX1 (0.47) EPHX1
SCHEMBL22504912 0.76 TSHR (0.35) TSHR
SCHEMBL28418574 0.75 TSHR (0.42) TSHRHRH4HRH3
SCHEMBL25973013 0.74 EPHX1 (0.50) TSHREPHX1
SCHEMBL25110744 0.74 EPHX1 (0.50) TSHREPHX1
SCHEMBL19792078 0.74 KMT2A (0.42) TSHR
SCHEMBL24169976 0.74 FAAH (0.33)
SCHEMBL18882750 0.74 TSHR (0.41) TSHRHRH4HRH3

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-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 EP disclosed