SCHEMBL6210258

SCHEMBL6210258

CC(CCNC(=O)c1ccc(OC(F)F)cc1)CC(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.40
CHRM4 P08173 1/20 0.38
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
CCR5 P51681 1/20 0.35
MMP13 P45452 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL6210327 0.92 GAA (0.45) POLBHPGDKMT2ACHRM4GAA
SCHEMBL6211027 0.91 NAMPT (0.40) POLBHPGDKMT2ACHRM4GAA
SCHEMBL6209727 0.91 CHRM4 (0.42) POLBHPGDKMT2ACHRM4GAA
SCHEMBL6210874 0.90 ALDH1A1 (0.40) POLBHPGDCHRM4GAARAB9A
SCHEMBL6212088 0.89 SLC6A5 (0.40) CHRM4LMNACCR5MAPTCTSK
SCHEMBL6209043 0.89 LMNA (0.41) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6212257 0.88 POLB (0.40) POLBHPGDKMT2ACHRM4GAA
SCHEMBL6259636 0.87 HDAC3 (0.35) POLBHPGDCHRM4SMN1; SMN2OPRM1
SCHEMBL6211167 0.87 CTSK (0.39) HPGDKMT2ASMN1; SMN2CTSK
SCHEMBL6209614 0.85 ROCK2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed