SCHEMBL3138703

SCHEMBL3138703

Fc1ccc(NC2CCN(c3ncccc3-c3ccc(CN4CCNCC4)cn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLNR O43193 11/20 0.53
FLT3 P36888 3/20 0.46
TYRO3 Q06418 3/20 0.46
MERTK Q12866 3/20 0.46
GAS6 Q14393 3/20 0.46
AXL P30530 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 1/20 0.45
GHSR Q92847 1/20 0.45
KDM4E B2RXH2 1/20 0.40
PRKAA2 P54646 2/20 0.39
CCND1 P24385 1/20 0.39
CDK6 Q00534 1/20 0.39
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
Hydrochloric Acid SCHEMBL2008327 0.99 MLNR (0.52) MLNRFLT3TYRO3MERTKGAS6
SCHEMBL2010299 0.89 MLNR (0.68) MLNRFLT3TYRO3MERTKGAS6
SCHEMBL2013240 0.87 MLNR (0.69) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL2003648 0.86 MLNR (0.68) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2011342 0.82 MLNR (0.45) MLNRFLT3TYRO3MERTKGAS6
SCHEMBL3134470 0.81 MLNR (0.50) MLNRFLT3TYRO3MERTKGAS6
SCHEMBL2006917 0.78 MLNR (0.69) MLNRFLT3TYRO3MERTKGAS6
SCHEMBL2010214 0.77 MLNR (0.46) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2011532 0.70 MLNR (0.50) MLNRCYP3A4CYP2D6GHSR
SCHEMBL2011340 0.70 MLNR (0.53) MLNRCYP3A4CYP2D6GHSR

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-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP claimed