SCHEMBL7316550

SCHEMBL7316550

CC1C(N2CCN(CCC(=O)O)CC2)OC(=O)N1CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
BCHE P06276 3/20 0.42
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL7308778 0.94 LTA4H (0.42) ACHEBCHELTA4H
SCHEMBL7308443 0.92 ACHE (0.46) ACHEBCHELTA4H
SCHEMBL7309485 0.91 ALDH1A1 (0.41) ACHEBCHEKMT2AHTR1AHTR7
SCHEMBL7316859 0.90 ACHE (0.43) ACHEBCHE
SCHEMBL7309705 0.90 LTA4H (0.47) ACHEBCHELTA4H
SCHEMBL7309506 0.89 ACHE (0.41) ACHEBCHE
SCHEMBL7317129 0.89 KMT2A (0.45) ACHEKMT2AHTR1AHTR7
SCHEMBL7304426 0.89 LTA4H (0.47) ACHEBCHELTA4H
SCHEMBL7307268 0.88 LMNA (0.40) ACHEBCHE
SCHEMBL7307606 0.87 CHRM2 (0.43) KMT2AHTR1AHTR7

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
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed