SCHEMBL7977320

SCHEMBL7977320

c1ccc(CC2CCC(Cc3ccccc3)CCC(Cc3ccccc3)CCN(Cc3ccccc3)CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.96
ALDH1A1 P00352 3/20 0.81
ATM Q13315 4/20 0.74
GAA P10253 2/20 0.74
KDM4E B2RXH2 1/20 0.74
GLA P06280 1/20 0.74
MAPT P10636 1/20 0.74
HTT P42858 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
PRMT3 O60678 1/20 0.65
CARM1 Q86X55 1/20 0.65
PRMT6 Q96LA8 1/20 0.65
PRMT1 Q99873 1/20 0.65
PRMT8 Q9NR22 1/20 0.65
ACHE P22303 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
SIGMAR1 Q99720 1/20 0.61
CXCR4 P61073 1/20 0.61

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
SCHEMBL8191786 1.00 CCR3 (0.96) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL2004615 0.98 CCR3 (1.00) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL8251054 0.89 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL3148583 0.89 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL12642472 0.89 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL3246849 0.89 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL23719076 0.87 CCR3 (0.80) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL8262506 0.87 CCR3 (0.80) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL6218861 0.87 CCR3 (0.80) CCR3ALDH1A1ATMGAAKDM4E
Hydrochloric Acid SCHEMBL7406256 0.87 CCR3 (0.79) CCR3ALDH1A1ATMGAAKDM4E

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
US-6288224-B1 Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates NYCOMED SALUTAR, INC. 2001-09-11 US disclosed
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 US disclosed