SCHEMBL7581966

SCHEMBL7581966

C=C1[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccc(F)c(Br)c2)NC(=N)N1C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30

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
SCHEMBL7583487 0.93 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7582171 0.91
SCHEMBL7566911 0.88 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL13054725 0.88 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7589338 0.86 AR (0.32)
SCHEMBL7585494 0.86
SCHEMBL18294770 0.86
SCHEMBL7588792 0.84 CCR6 (0.31)
SCHEMBL7580668 0.84 P2RX7 (0.33)
SCHEMBL7582095 0.84 MEN1 (0.31)

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
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed