SCHEMBL8658207

SCHEMBL8658207

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
ACHE P22303 10/20 0.45
BCHE P06276 2/20 0.45
FAAH O00519 2/20 0.44
CHRM4 P08173 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
SCHEMBL8658526 0.98 LTA4H (0.46) LTA4HACHEBCHEFAAHCHRM4
SCHEMBL8657942 0.95 LTA4H (0.47) LTA4HACHEBCHEFAAHCHRM4
SCHEMBL8655164 0.94 ACHE (0.47) LTA4HACHEBCHEFAAHCHRM4
SCHEMBL8657296 0.94 LTA4H (0.47) LTA4HACHEBCHEFAAHCHRM4
SCHEMBL8654744 0.93 HTR7 (0.43)
SCHEMBL8654748 0.92 ACHE (0.46) LTA4HACHEBCHEFAAHCHRM4
SCHEMBL8657796 0.92 KMT2A (0.43)
SCHEMBL8655635 0.91 ACHE (0.43) ACHEBCHEFAAHCHRM4
SCHEMBL8655861 0.91 LTA4H (0.46) LTA4HACHEBCHEFAAHCHRM4
SCHEMBL8657977 0.90 ACHE (0.44) LTA4HACHEBCHEFAAHCHRM4

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