SCHEMBL3917015

SCHEMBL3917015

COCCn1cc(C2CCC(F)(F)CC2)sc1=N

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.37
IL1B P01584 4/20 0.36

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
Bromide SCHEMBL963629 0.99 P2RX7 (0.37) P2RX7IL1B
SCHEMBL943821 0.83 MEN1 (0.35)
Bromide SCHEMBL944636 0.82 MEN1 (0.35)
Bromide SCHEMBL962328 0.80 BRD4 (0.34)
SCHEMBL962691 0.72 CNR2 (0.41) P2RX7IL1B
SCHEMBL3918303 0.69 DYRK1A (0.33)
SCHEMBL964484 0.69 MEN1 (0.36)
SCHEMBL5044105 0.67 MEN1 (0.32)
Bromide SCHEMBL965096 0.67 MEN1 (0.35)
Bromide SCHEMBL964515 0.67 DYRK1A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925300-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB 2010-12-22 CN disclosed
CN-101448800-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB (US) 2009-06-03 CN disclosed
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 EP disclosed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed