SCHEMBL15068680

SCHEMBL15068680

COc1ccc(-c2cc3ccc(N4CCN[C@@H](C)C4)cc3oc2=O)cc1F.C[C@H]1CN(c2ccc3cc(-c4cccc(F)c4F)c(=O)oc3c2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.45
NPC1 O15118 2/20 0.41
TLR9 Q9NR96 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MIF P14174 2/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ESR2 Q92731 1/20 0.36
HTR7 P34969 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL15086320 0.93 NPC1 (0.46) GHSRNPC1TLR9ATMTDP1
SCHEMBL16669511 0.89 MAPT (0.38) GHSRMIF
SCHEMBL15066310 0.86 NPC1 (0.46) GHSRNPC1TLR9ATMTDP1
SCHEMBL15066761 0.85 NPC1 (0.56) GHSRNPC1TLR9ATMTDP1
SCHEMBL15067015 0.85 NPC1 (0.56) GHSRNPC1TLR9ATMTDP1
SCHEMBL21301370 0.84 NPC1 (0.47) GHSRNPC1TLR9ATMTDP1
SCHEMBL21301361 0.84 NPC1 (0.47) GHSRNPC1TLR9ATMTDP1
SCHEMBL15066182 0.84 NPC1 (0.47) GHSRNPC1TLR9ATMTDP1
SCHEMBL15066805 0.82 NPC1 (0.47) GHSRNPC1TLR9ATMTDP1
SCHEMBL15066145 0.82 NPC1 (0.50) NPC1TLR9ATMTDP1ERAP1

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-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP claimed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO claimed