SCHEMBL14528906

SCHEMBL14528906

CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.66
POLB P06746 2/20 0.66
ALDH1A1 P00352 1/20 0.66
MRGPRX4 Q96LA9 1/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CCR2 P41597 7/20 0.61
TP53BP1 Q12888 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
TP53 P04637 1/20 0.55

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
SCHEMBL14528425 0.86 GPR139 (0.62) GPR139POLBALDH1A1HTTL3MBTL1
SCHEMBL8947129 0.84 POLB (0.68) GPR139POLBALDH1A1HTTL3MBTL1
SCHEMBL30407428 0.84 POLB (0.67) GPR139POLBALDH1A1HTTL3MBTL1
SCHEMBL613062 0.84 POLB (0.67) GPR139POLBALDH1A1HTTL3MBTL1
SCHEMBL1417591 0.83 NPSR1 (0.69) POLBALDH1A1HTTNPSR1
SCHEMBL30137430 0.83 NPSR1 (0.69) POLBALDH1A1HTTNPSR1
SCHEMBL7641409 0.82 POLB (0.65) GPR139POLBALDH1A1MRGPRX4HTT
SCHEMBL30739602 0.82 POLB (0.78) GPR139POLBALDH1A1MRGPRX4TP53BP1
SCHEMBL2855037 0.82 POLB (0.78) GPR139POLBALDH1A1MRGPRX4TP53BP1
SCHEMBL23014295 0.81 GPR139 (0.64) GPR139POLBALDH1A1HTTL3MBTL1

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-2452939-B1 PIPERAZINYL 3-AMINOPYRROLIDINE DERIVATIVES AS A CCR2 ANTAGONIST YANG JI CHEMICAL CO LTD (KR) 2014-03-26 EP disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed