SCHEMBL4786985

SCHEMBL4786985

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)c(F)c2)c(OCCN(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.46
EPHX1 P07099 5/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KDR P35968 2/20 0.41
EPHX2 P34913 2/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4784128 0.90 EPHX1 (0.47) EPHX1KDREPHX2HDAC1HDAC2
SCHEMBL4228945 0.84 HRH3 (0.43) QPCTHRH3KDRMAPTHSD17B10
SCHEMBL4787430 0.83 EPHX2 (0.54) EPHX1EPHX2
SCHEMBL4785572 0.81 EPHX1 (0.51) EPHX1KDREPHX2HDAC1HDAC2
SCHEMBL4787668 0.80 MAPT (0.51) EPHX1KDREPHX2HDAC1HDAC2
SCHEMBL4686265 0.79 EPHX1 (0.46) EPHX1KDREPHX2HDAC1HDAC2
SCHEMBL4683265 0.78 EPHX1 (0.46) EPHX1KDREPHX2MAPT
SCHEMBL4787476 0.77 EPHX1 (0.52) EPHX1KDREPHX2HDAC1HDAC2
SCHEMBL4687172 0.77 CCR3 (0.46) QPCTHRH3KDRMAPT
SCHEMBL4787105 0.76 EPHX1 (0.52) EPHX1KDREPHX2HDAC1HDAC2

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed