SCHEMBL19489653

SCHEMBL19489653

N=Cc1c(NC2CCCCO2)ncc(Cl)c1N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL19489655 0.85 P2RY12 (0.31) P2RY12
SCHEMBL19489658 0.80 KMT5B (0.31)
SCHEMBL19489656 0.79 P2RY12 (0.35) P2RY12
SCHEMBL23316958 0.79
SCHEMBL19489652 0.78
SCHEMBL19489659 0.77 P2RY12 (0.37) P2RY12
SCHEMBL19489654 0.77 SLC6A3 (0.37) P2RY12
SCHEMBL20715116 0.75 P2RY12 (0.32) P2RY12
SCHEMBL27338765 0.75 OPRK1 (0.32)
SCHEMBL20776751 0.72 YTHDC1 (0.34)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442945-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-08 EP disclosed
WO-2017178377-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-10-19 WO disclosed