SCHEMBL8655635

SCHEMBL8655635

COC(=O)CCN1CCN(C2OC(=O)N(C)C2CCCCC2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.43
BCHE P06276 4/20 0.42
FAAH O00519 1/20 0.42
ALOX5 P09917 1/20 0.42
CHRM4 P08173 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8659466 0.98 ACHE (0.43) ACHEBCHEFAAHALOX5CHRM4
SCHEMBL8655096 0.96 ACHE (0.42) ACHEBCHEFAAHALOX5CHRM4
SCHEMBL8654508 0.95 ACHE (0.44) ACHEBCHEALOX5CHRM4DRD2
SCHEMBL8656751 0.94 ACHE (0.42) ACHEBCHEFAAHALOX5CHRM4
SCHEMBL8654791 0.93 ALDH1A1 (0.42)
SCHEMBL8659262 0.92 ACHE (0.43) ACHEBCHEALOX5CHRM4
SCHEMBL8655083 0.92 ALDH1A1 (0.43)
SCHEMBL8661630 0.92 ACHE (0.43) ACHEBCHEFAAHCHRM4
SCHEMBL8655966 0.92 ACHE (0.42) ACHEBCHEALOX5CHRM4DRD2
SCHEMBL8658207 0.91 LTA4H (0.46) ACHEBCHEFAAHCHRM4

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-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed