SCHEMBL4787232

SCHEMBL4787232

CCCCCNC(=O)Nc1cc(OCC)c(Oc2ccc(N)cc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
TBXA2R P21731 4/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 5/20 0.40
KDR P35968 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 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
SCHEMBL4784488 0.92 EPHX2 (0.48) EPHX2TBXA2RKMT2ALMNAKDR
SCHEMBL4787266 0.90 EPHX2 (0.51) EPHX2TBXA2RLMNAMAPTEPHX1
SCHEMBL4785116 0.86 TBXA2R (0.58) EPHX2TBXA2RPOLB
SCHEMBL4783711 0.85 EPHX2 (0.55) EPHX2TBXA2RLMNAMAPTRAB9A
SCHEMBL4788372 0.84 LMNA (0.44) EPHX2KMT2ALMNAKDRALDH1A1
SCHEMBL4229012 0.83 PKM (0.50) KMT2ANPC1MAPTPKMRAB9A
SCHEMBL4787476 0.83 EPHX1 (0.52) EPHX2TBXA2RKMT2AMAPTEPHX1
SCHEMBL4687617 0.82 EPHX2 (0.47) EPHX2TBXA2RKMT2AMAPTKDR
SCHEMBL4787105 0.81 EPHX1 (0.52) EPHX2TBXA2RKMT2ASMN1; SMN2EPHX1
SCHEMBL4687220 0.80 EPHX2 (0.49) EPHX2TBXA2RLMNANPC1MAPT

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