SCHEMBL7977436

SCHEMBL7977436

COC1=C(OC)C(=O)C2=C(CC(CCCCCCCCN3CCN(Cc4ccccc4)CC3)C2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL7971522 0.84 CCR3 (0.50) CCR3ACHE
Hydrochloric Acid SCHEMBL7974723 0.83 CCR3 (0.49) CCR3ACHE
Hydrochloric Acid SCHEMBL7972782 0.82 SIGMAR1 (0.50)
SCHEMBL7977561 0.80 HTR7 (0.55)
Hydrochloric Acid SCHEMBL7971501 0.79 ALDH1A1 (0.43)
SCHEMBL7961354 0.77 CCR3 (0.45) CCR3
SCHEMBL7974714 0.77 MAPT (0.35)
SCHEMBL7974325 0.76 HTR1A (0.48) ACHE
Hydrochloric Acid SCHEMBL7974459 0.75 SMN1; SMN2 (0.50) ACHE
Hydrochloric Acid SCHEMBL7971226 0.74 HRH3 (0.42)

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