SCHEMBL6016582

SCHEMBL6016582

CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Oc1cnc(OCCN2CCOCC2)nc1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.44
SCD O00767 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
TACR3 P29371 1/20 0.39
HTR2A P28223 5/20 0.39
HTR2C P28335 4/20 0.39
MAPK14 Q16539 3/20 0.39
KCNH2 Q12809 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 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
SCHEMBL6871717 0.90 TACR1 (0.46) TACR1SCDMKNK1TACR3MAPK14
SCHEMBL6016479 0.86 TACR1 (0.53) TACR1RAF1BRAF
SCHEMBL6016707 0.85 TACR1 (0.50) TACR1TACR3MAPK14
SCHEMBL6016667 0.85 TACR1 (0.49) TACR1TACR3
SCHEMBL7036633 0.82 TACR1 (0.42) TACR1SCDTACR3HTR2AHTR2C
SCHEMBL6016586 0.80 TACR1 (0.64) TACR1
SCHEMBL6016604 0.78 TACR1 (0.53) TACR1TACR3
SCHEMBL6016612 0.77 TACR1 (0.54) TACR1KCNH2RAF1BRAF
SCHEMBL6016461 0.77 TACR1 (0.64) TACR1RAF1BRAF
SCHEMBL6016603 0.77 TACR1 (0.50) TACR1

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-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed