SCHEMBL7311744

SCHEMBL7311744

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.43
KMT2A Q03164 1/20 0.43
CCR3 P51677 1/20 0.43
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
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
SCHEMBL7307606 0.98 CHRM2 (0.43) HTR7KMT2AHTR1AALDH1A1TSHR
SCHEMBL7311883 0.96 HTR7 (0.43) HTR7CCR3ALDH1A1CHRM2CHRM4
SCHEMBL7309384 0.94 CHRM2 (0.43) HTR7KMT2ACCR3HTR1AALDH1A1
SCHEMBL7317129 0.94 KMT2A (0.45) HTR7KMT2AHTR1AALDH1A1TSHR
SCHEMBL7314570 0.92 CACNA1G (0.43) HTR7KMT2ACCR3HTR1AALDH1A1
SCHEMBL7315052 0.92 ALDH1A1 (0.44) HTR7KMT2ACCR3ALDH1A1CHRM2
SCHEMBL7304426 0.92 LTA4H (0.47) CHRM4
SCHEMBL7309705 0.91 LTA4H (0.47) CHRM4
SCHEMBL7309596 0.91 ALDH1A1 (0.43) HTR7KMT2AHTR1AALDH1A1TSHR
SCHEMBL7309302 0.90 ALDH1A1 (0.44) KMT2ACCR3ALDH1A1TSHRCHRM2

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