SCHEMBL18286751

SCHEMBL18286751

CC(=O)C(CCCNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)NCCN

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 12/20 0.53
YAP1 P46937 1/20 0.52
TEAD4 Q15561 1/20 0.52
TEAD2 Q15562 1/20 0.52
TRPV1 Q8NER1 1/20 0.49
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MPO P05164 1/20 0.42

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
SCHEMBL18752851 0.92 RXFP1 (0.54) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL12606017 0.85 RXFP1 (0.67) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL1774875 0.84 RXFP1 (0.70) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL13929951 0.83 RXFP1 (0.64) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL13929953 0.77 RXFP1 (0.62) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL13754010 0.76 RXFP1 (0.73) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL1775112 0.76 RXFP1 (0.65) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL14192649 0.75 RXFP1 (0.66) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL12606012 0.75 SIRT2 (0.53) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL9268782 0.75 RXFP1 (0.78) RXFP1YAP1TEAD4TEAD2LMNA

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-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 EP disclosed
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 EP disclosed