SCHEMBL8655164

SCHEMBL8655164

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.47
BCHE P06276 2/20 0.47
LTA4H P09960 3/20 0.44
CHRM4 P08173 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL8658207 0.94 LTA4H (0.46) ACHEBCHELTA4HCHRM4FAAH
SCHEMBL8658526 0.94 LTA4H (0.46) ACHEBCHELTA4HCHRM4FAAH
SCHEMBL8655861 0.94 LTA4H (0.46) ACHEBCHELTA4HCHRM4FAAH
SCHEMBL8655178 0.91 ACHE (0.45) ACHEBCHECHRM4FAAH
SCHEMBL8661291 0.91 KMT2A (0.45) ACHEFAAH
SCHEMBL8654508 0.91 ACHE (0.44) ACHEBCHECHRM4
SCHEMBL8657942 0.90 LTA4H (0.47) ACHEBCHELTA4HCHRM4FAAH
SCHEMBL8657296 0.90 LTA4H (0.47) ACHEBCHELTA4HCHRM4FAAH
SCHEMBL8657048 0.89 ACHE (0.44) ACHEBCHECHRM4
SCHEMBL8657796 0.89 KMT2A (0.43)

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