SCHEMBL4649037

SCHEMBL4649037

Fc1ccc(NC2CCN(Cc3ccccc3)C2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.67
BACE1 P56817 7/20 0.67
BCHE P06276 6/20 0.67
KDM4E B2RXH2 1/20 0.64
GAA P10253 1/20 0.64
SIGMAR1 Q99720 3/20 0.56
EEF2K O00418 1/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
CCR3 P51677 2/20 0.53
ROCK2 O75116 2/20 0.52
CCR2 P41597 1/20 0.52
ROCK1 Q13464 1/20 0.52
SCN1A P35498 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2278559 1.00 ACHE (0.67) ACHEBACE1BCHEKDM4EGAA
SCHEMBL2279311 0.91 KDM4E (0.66) ACHEBACE1BCHEKDM4EGAA
SCHEMBL4230587 0.87 KDM4E (0.60) ACHEBACE1BCHEKDM4EGAA
SCHEMBL4225304 0.81 MCHR1 (0.54) KDM4EGAASIGMAR1DRD2DRD4
SCHEMBL330905 0.81 ALDH1A1 (0.63) ACHEBACE1BCHEKDM4EGAA
SCHEMBL330906 0.81 ALDH1A1 (0.63) ACHEBACE1BCHEKDM4EGAA
SCHEMBL13419693 0.81 KDM4E (0.74) ACHEBACE1BCHEKDM4EGAA
SCHEMBL4229449 0.81 SIGMAR1 (0.53) ACHEBACE1BCHEKDM4EGAA
SCHEMBL4229453 0.81 SIGMAR1 (0.53) ACHEBACE1BCHEKDM4EGAA
SCHEMBL13419300 0.80 GAA (0.72) ACHEBACE1BCHEKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed