SCHEMBL7126798

SCHEMBL7126798

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)N2CCN(C(=O)CN3CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC3)C3CC=CC=C32)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TERT O14746 1/20 0.32
ENPP2 Q13822 1/20 0.31
PLA2G10 O15496 1/20 0.30
PLA2G5 P39877 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL7132341 0.83 SLC6A9 (0.34) MEN1KMT2A
SCHEMBL7126787 0.71 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL3470166 0.69 PLA2G10 (0.41) CHRM2CHRM4CHRM1CHRM3PLA2G10
SCHEMBL3799622 0.69 PLA2G10 (0.41) CHRM2CHRM4CHRM1CHRM3PLA2G10
SCHEMBL27147241 0.69 PLA2G10 (0.41) CHRM2CHRM4CHRM1CHRM3PLA2G10
SCHEMBL7132345 0.67 GAA (0.50) CHRM2CHRM4CHRM1CHRM3TERT
SCHEMBL21063496 0.65 PLA2G10 (0.37) CHRM2CHRM4CHRM1CHRM3PLA2G10
SCHEMBL5023981 0.65 CASP3 (0.33) PLA2G10PLA2G5
SCHEMBL5029924 0.65 PLA2G10 (0.36) PLA2G10PLA2G5
SCHEMBL16749946 0.64 HSD17B10 (0.42) CHRM2CHRM4CHRM1CHRM3PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722442-B1 POLYAZACYCLOALKANES AS DICHELANTS NYCOMED SALUTAR INC (US) 2003-01-15 EP disclosed
US-5972307-A ADMINISTERING TO HUMAN OR ANIMAL BODY AN EFFECTIVE AMOUNT OF A DIAGNOSTIC AGENT COMPRISES A METAL CHELATE OF A COMPOUND HAVING TWO MACROCYCLIC CHELANT GROUPS LINKED BY A BRIDGE CONTAINING ESTER OR AMIDE BOND NYCOMED SALUTAR, INC. (US) 1999-10-26 US disclosed
US-5650133-A CHELATING AGENTS USEFUL IN DIAGNOSTIC AND THERAPEUTIC COMPOSITIONS NYCOMED SALUTAR (US) 1997-07-22 US disclosed
WO-1995009848-A2 POLYAZACYCLOALKANES AS DICHELANTS NYCOMED SALUTAR, INC. (US) 1995-04-13 WO disclosed