SCHEMBL10258507

SCHEMBL10258507

C=C(NCc1ccccc1-c1ccccc1)C1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
NAAA Q02083 1/20 0.43
USP19 O94966 2/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
EPHX2 P34913 1/20 0.41
GPR183 P32249 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
YAP1 P46937 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CACNA1F O60840 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL2472907 0.92 GFER (0.46) GFERNAAAUSP19FFAR1FFAR4
SCHEMBL14327376 0.92 FFAR1 (0.39) USP19FFAR1FFAR4EPHX2CHRNB2
SCHEMBL13183012 0.86 NAAA (0.48) NAAAFFAR1FFAR4CHRNB2CHRNB4
SCHEMBL12195035 0.84 GFER (0.46) GFERNAAAEPHX2GPR183KMT2A
SCHEMBL14312423 0.83 GFER (0.43) GFERNAAAUSP19FFAR1FFAR4
SCHEMBL13183026 0.82 GFER (0.44) GFERUSP19EPHX2GPR183KMT2A
SCHEMBL14327389 0.81 METAP2 (0.46) GFERUSP19FFAR1EPHX2GPR183
SCHEMBL2513258 0.80 MEN1 (0.50) GFERFFAR1EPHX2GPR183KMT2A
SCHEMBL2471516 0.80 OPRL1 (0.56) GFERNAAAEPHX2GPR183KMT2A
SCHEMBL2467659 0.79 OPRL1 (0.57) GFEREPHX2GPR183KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed