SCHEMBL18543722

SCHEMBL18543722

O=C1CC(=O)N(c2cc[c]cc2)c2ccc3c(c2N1)CCCC3

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 14/20 0.52
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL20143474 0.88 P2RX4 (0.59) P2RX4MAPTMEN1KMT2A
SCHEMBL14972509 0.85 P2RX4 (0.55) P2RX4MAPTMEN1KMT2ARAB9A
SCHEMBL14972561 0.85 P2RX4 (0.55) P2RX4MAPTMEN1KMT2ARAB9A
SCHEMBL14972590 0.82 P2RX4 (0.59) P2RX4MAPTMEN1KMT2ARAB9A
SCHEMBL14972537 0.82 P2RX4 (0.54) P2RX4MAPTMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL14972534 0.81 P2RX4 (0.54) P2RX4MAPTMEN1KMT2AALOX15
SCHEMBL14972529 0.79 P2RX4 (0.50) P2RX4MAPTMEN1KMT2AALOX15
SCHEMBL14972867 0.79 P2RX4 (0.50) P2RX4MAPTMEN1KMT2AHSD17B10
SCHEMBL14972501 0.79 P2RX4 (0.48) P2RX4MAPTMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL14972545 0.78 P2RX4 (0.49) P2RX4MAPTMEN1KMT2AHSD17B10

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-2803662-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2017-03-01 EP claimed