SCHEMBL7311883

SCHEMBL7311883

CC1C(N2CCN(CCCC(=O)O)CC2)OC(=O)N1CCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.43
CACNA1G O43497 1/20 0.43
CCR3 P51677 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL7309384 0.98 CHRM2 (0.43) HTR7CACNA1GCCR3ALDH1A1CHRM2
SCHEMBL7311744 0.96 HTR7 (0.43) HTR7CCR3ALDH1A1CHRM2CHRM4
SCHEMBL7314570 0.96 CACNA1G (0.43) HTR7CACNA1GCCR3ALDH1A1CHRM2
SCHEMBL7307606 0.94 CHRM2 (0.43) HTR7CACNA1GALDH1A1CHRM2CHRM4
SCHEMBL7312963 0.93 LTA4H (0.48) HTR7
SCHEMBL7315052 0.92 ALDH1A1 (0.44) HTR7CCR3ALDH1A1CHRM2CHRM4
SCHEMBL7307208 0.92 LTA4H (0.49)
SCHEMBL7303537 0.91 LTA4H (0.47)
SCHEMBL7310167 0.91 CACNA1G (0.42) HTR7CACNA1GALDH1A1
SCHEMBL7309302 0.90 ALDH1A1 (0.44) CCR3ALDH1A1CHRM2CHRM4CHRM5

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