SCHEMBL7971522

SCHEMBL7971522

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCN1CCN(Cc3ccccc3)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.50
SIGMAR1 Q99720 2/20 0.47
ACHE P22303 1/20 0.47

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
Hydrochloric Acid SCHEMBL7974723 0.99 CCR3 (0.49) CCR3SIGMAR1ACHE
SCHEMBL7977436 0.84 CCR3 (0.48) CCR3ACHE
Hydrochloric Acid SCHEMBL7977428 0.81 SIGMAR1 (0.52) SIGMAR1
SCHEMBL7971195 0.79 KCNH2 (0.56) SIGMAR1
SCHEMBL7977198 0.77 ALDH1A1 (0.43) SIGMAR1
Hydrochloric Acid SCHEMBL7973017 0.76 ALDH1A1 (0.42) SIGMAR1
SCHEMBL7974656 0.76 CCR3 (0.47) CCR3SIGMAR1
SCHEMBL6657649 0.76 CCR3 (0.82) CCR3SIGMAR1
Hydrochloric Acid SCHEMBL7974907 0.75 CCR3 (0.46) CCR3SIGMAR1
SCHEMBL7961134 0.74 HCAR2 (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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed