SCHEMBL19906631

SCHEMBL19906631

CC/C=C\C=C/CCn1cc(OC)c(=O)nc1N[C@@H]1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.69
C5AR1 P21730 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 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
SCHEMBL19906636 0.82 P2RX7 (1.00) P2RX7
SCHEMBL22420510 0.82 P2RX7 (1.00) P2RX7
SCHEMBL20107103 0.82 P2RX7 (1.00) P2RX7
SCHEMBL20107102 0.77 P2RX7 (0.73) P2RX7MEN1KMT2ATAS1R3TAS1R1
SCHEMBL20107015 0.76 P2RX7 (1.00) P2RX7
SCHEMBL19907147 0.76 P2RX7 (1.00) P2RX7
SCHEMBL19907049 0.76 P2RX7 (1.00) P2RX7
SCHEMBL22420530 0.75 P2RX7 (1.00) P2RX7
SCHEMBL19906678 0.71 P2RX7 (0.73) P2RX7
SCHEMBL22420578 0.69 P2RX7 (1.00) P2RX7

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-3287443-A1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Shionogi & Co., Ltd (JP) 2018-02-28 EP disclosed