SCHEMBL7419504

SCHEMBL7419504

Cc1cc(OCc2ccc(-c3[nH]c(C)cc3CCC#N)cc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.41
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7417816 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7419501 0.76 AGTR1 (0.42) ADAM17AGTR1AGTR2MAPTTSHR
SCHEMBL1564276 0.74 HTT (0.59) ADAM17MAPT
SCHEMBL7471684 0.73 MAPT (0.44) ADAM17AGTR1AGTR2MAPTTSHR
SCHEMBL7410622 0.71 ADAM17 (0.42) ADAM17AGTR1AGTR2MAPTTSHR
SCHEMBL7579266 0.70 MAPT (0.47) ADAM17AGTR1AGTR2MAPTTSHR
SCHEMBL7417812 0.67 AGTR1 (0.52) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9175717 0.67 ADAM17 (0.52) ADAM17AGTR1AGTR2
SCHEMBL6635318 0.67 AGTR1 (0.54) AGTR1AGTR2
Hydrochloric Acid SCHEMBL7840690 0.66 AGTR1 (0.53) AGTR1AGTR2

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
WO-1993016071-A1 HETEROCYCLIC DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-19 WO disclosed