SCHEMBL4641303

SCHEMBL4641303

CCN(CC)CCCN(C)c1nc2ccc(NC(=O)Oc3ccc(-c4ccc(F)cc4)cc3)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 4/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TP53 P04637 3/20 0.41
CACNA1B Q00975 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4641244 0.89 ALDH1A1 (0.45) TMPRSS15ALDH1A1SMN1; SMN2FAAHMAPT
SCHEMBL5243702 0.87 TP53 (0.50) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL4641475 0.83 MAPT (0.45) TMPRSS15MAPTLMNAKMT2ATP53
SCHEMBL4643445 0.83 RAB9A (0.46) TMPRSS15SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL5247759 0.81 TP53 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL4641355 0.81 ALDH1A1 (0.44) TMPRSS15ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4644016 0.80 ALDH1A1 (0.43) TMPRSS15ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4644600 0.80 MAPT (0.45) ALDH1A1SMN1; SMN2FAAHMAPTTP53
SCHEMBL4643663 0.79 ALDH1A1 (0.46) TMPRSS15ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL13054226 0.79 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTLMNAHTT

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed