SCHEMBL7117384

SCHEMBL7117384

CC(C)(C)OC(=O)N1CCN(CC(N)c2ccccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
ABCB1 P08183 1/20 0.48
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
STS P08842 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
TERT O14746 1/20 0.41
KDM1A O60341 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
SCHEMBL7117394 0.86 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL7122471 0.85 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL7118400 0.82 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL5096532 0.81 KDM4E (0.48) ALDH1A1MEN1KMT2ASTSNPC1
SCHEMBL7119173 0.81 MEN1 (0.54) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL26923461 0.81 MAPT (0.47) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL5406440 0.80 DPP4 (0.52) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL30702506 0.80 CYP3A4 (0.48) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL13509200 0.79 POLB (0.46) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL26922383 0.78 NPC1 (0.45) CHRM2CHRM4CHRM1CHRM3ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed