SCHEMBL4641355

SCHEMBL4641355

CN(C)CCN(C)c1nc2ccc(NC(=O)Oc3ccc(-c4ccc(F)cc4F)cc3)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
TMPRSS15 P98073 5/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
RAD52 P43351 1/20 0.39
CACNA1B Q00975 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
SCHEMBL4644016 0.93 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HTTKMT2ATMPRSS15
SCHEMBL4643663 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTKMT2ATMPRSS15
SCHEMBL4641244 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTKMT2ATMPRSS15
SCHEMBL4641601 0.86 MAPT (0.43) SMN1; SMN2KMT2ATMPRSS15MAPTLMNA
SCHEMBL4643578 0.85 MCHR1 (0.44) ALDH1A1SMN1; SMN2HTTKMT2ATMPRSS15
SCHEMBL4643038 0.85 MCHR1 (0.48) ALDH1A1SMN1; SMN2HTTKMT2ATMPRSS15
SCHEMBL4647199 0.85 MCHR1 (0.46) TMPRSS15MAPTLMNA
SCHEMBL4641406 0.84 MAPT (0.42) ALDH1A1SMN1; SMN2HTTKMT2ATMPRSS15
SCHEMBL4641593 0.84 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2ATMPRSS15MAPT
SCHEMBL4643026 0.84 MCHR1 (0.42) SMN1; SMN2KMT2ATMPRSS15MAPTLMNA

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