SCHEMBL20344807

SCHEMBL20344807

COC(=O)Cc1c(C)cn2cc(-c3cccc(-c4ccccc4F)c3)nc2c1-c1cc2c(cc1OC(C)(C)C)OCCC2

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.33
NR1I2 O75469 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
SCHEMBL20344786 0.90 P2RX7 (0.33) P2RX7
SCHEMBL17039278 0.81 FABP4 (0.41)
SCHEMBL17039306 0.81 FABP4 (0.35) P2RX7
SCHEMBL20344808 0.77 GNRHR (0.35)
SCHEMBL18364984 0.76 NR1I2 (0.39) NR1I2
SCHEMBL17039253 0.76 NR1I2 (0.39) NR1I2
SCHEMBL17039243 0.75 NR1I2 (0.44) NR1I2
SCHEMBL17029029 0.75 NR1I2 (0.44) NR1I2
SCHEMBL17029048 0.75 NR1I2 (0.44) NR1I2
SCHEMBL17039280 0.73 SMN1; SMN2 (0.44)

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-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed