SCHEMBL4723314

SCHEMBL4723314

O=c1c2c(c(-c3ccccc3Cl)nn1-c1cc(N3CCC(O)C3)ccc1C(F)(F)F)CCC2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
RORC P51449 1/20 0.42
NOTUM Q6P988 13/20 0.41
TACR1 P25103 2/20 0.37
TACR3 P29371 2/20 0.37
AR P10275 1/20 0.37
SLC6A9 P48067 1/20 0.35

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
SCHEMBL4723309 1.00 P2RX7 (0.42) P2RX7RORCNOTUMTACR1TACR3
SCHEMBL4721711 0.91 P2RX7 (0.39) P2RX7RORCNOTUM
SCHEMBL4722448 0.91 RORC (0.41) P2RX7RORCNOTUM
SCHEMBL4722454 0.91 RORC (0.41) P2RX7RORCNOTUM
SCHEMBL4720711 0.91 P2RX7 (0.42) P2RX7RORC
SCHEMBL4720706 0.91 P2RX7 (0.42) P2RX7RORC
SCHEMBL4721709 0.91 P2RX7 (0.39) P2RX7RORCNOTUM
SCHEMBL4724121 0.90 P2RX7 (0.39) P2RX7RORCNOTUM
SCHEMBL4724116 0.90 P2RX7 (0.39) P2RX7RORCNOTUM
SCHEMBL4721096 0.88 P2RX7 (0.41) P2RX7RORCNOTUM

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed