SCHEMBL8417428

SCHEMBL8417428

CCCCNc1cc(-n2c(C)nc3cccc(C(=O)OC)c32)ccc1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL8419430 0.95 TSHR (0.37) TSHRPOLBALOX15
SCHEMBL8421434 0.92 RXFP1 (0.36) RXFP1ALOX15
SCHEMBL8419128 0.92 TSHR (0.38) TSHRPOLBALOX15
SCHEMBL8422201 0.90 ALOX15 (0.40) POLBALOX15
SCHEMBL8417387 0.88 PLA2G2A (0.37) TSHRRXFP1POLB
SCHEMBL8417991 0.88 ALOX15 (0.34) ALOX15
SCHEMBL8421430 0.86 RIPK1 (0.37) RIPK1TLR8TLR7
SCHEMBL8417426 0.85 TSHR (0.37) TSHRPOLBALOX15
SCHEMBL8417950 0.84 ALOX15 (0.35) ALOX15
SCHEMBL8417917 0.84 TSHR (0.39) TSHRPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5703110-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-30 US disclosed