SCHEMBL7315123

SCHEMBL7315123

CC1C(N2CCN(CC(=O)O)CC2)OC(=O)N1CCC1CCN(C2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
TSHR P16473 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RGS12 O14924 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL7305000 0.93 CHRM2 (0.36) HTR7SIGMAR1CHRM2CHRM1MEN1
SCHEMBL7300978 0.91 HTR7 (0.39) HTR7CHRM2CHRM1MEN1KMT2A
SCHEMBL7307085 0.90 SIGMAR1 (0.38) HTR7SIGMAR1CHRM2CHRM1MEN1
SCHEMBL7305895 0.89 CHRM2 (0.39) HTR7CHRM2CHRM1TSHRMAPK1
SCHEMBL7307155 0.88 ITGB3 (0.34) HTR7CHRM2CHRM1ALOX15
SCHEMBL7316047 0.88 GRIN1 (0.42) HTR7SIGMAR1CHRM2CHRM1GRIN1
SCHEMBL7304254 0.85 HRH3 (0.33) HRH3
SCHEMBL7309115 0.85 HTR7 (0.38) HTR7SIGMAR1CHRM2CHRM1KDM4E
SCHEMBL7314354 0.84 CHRM2 (0.38) HTR7CHRM2CHRM1MEN1KMT2A
SCHEMBL7306204 0.84 ITGB3 (0.38) HTR7SIGMAR1CHRM2CHRM1KDM4E

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