SCHEMBL5320489

SCHEMBL5320489

O=C(NC(=O)N1CCC(Cc2ccc(F)c(F)c2)CC1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SCN9A Q15858 1/20 0.46
CHRM2 P08172 4/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL4243146 0.87 CCR3 (0.49) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4239655 0.86 F2 (0.50) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4247871 0.85 KMT2A (0.62) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4250198 0.83 SLC2A1 (0.53) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4243510 0.83 FAAH (0.56) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4239616 0.82 FAAH (0.61) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4252205 0.81 HTR2A (0.43) KMT2AGRIN2B
SCHEMBL4252214 0.81 KMT2A (0.47) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4244566 0.81 ESRRG (0.49) KMT2ACHRM2GRIN2DGRIN3BGRIN1
SCHEMBL5320493 0.80 GAA (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1771429-A1 NEW BENZOYL UREA DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2007-04-11 EP disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed