SCHEMBL9309368

SCHEMBL9309368

CCOC(=O)c1ccccc1-c1c(Br)c2coccc-2c1Cn1c(CC)nc(C)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
TSHR P16473 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
SCHEMBL9309605 0.93 MAPK1 (0.36) MAPK1
SCHEMBL9309399 0.93 TSHR (0.34) TSHR
SCHEMBL9308876 0.92 MAPK1 (0.36) MAPK1TSHR
SCHEMBL9309041 0.92
SCHEMBL9309904 0.87 MAPK1 (0.36) MAPK1TSHR
SCHEMBL9311003 0.84 AGTR1 (0.35)
SCHEMBL9429570 0.84 ALDH1A1 (0.38) TSHR
SCHEMBL9309984 0.84 AGTR1 (0.44)
SCHEMBL9859908 0.82 AGTR1 (0.32)
SCHEMBL9677392 0.82 BRD4 (0.36)

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed