SCHEMBL4641244

SCHEMBL4641244

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TMPRSS15 P98073 3/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 5/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.42
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.41
FAAH O00519 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL4641355 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TMPRSS15HTTKMT2A
SCHEMBL4644016 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TMPRSS15HTTKMT2A
SCHEMBL4643663 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TMPRSS15HTTKMT2A
SCHEMBL4641303 0.89 TMPRSS15 (0.44) ALDH1A1SMN1; SMN2TMPRSS15HTTKMT2A
SCHEMBL4641475 0.87 MAPT (0.45) TMPRSS15KMT2AMAPTTP53LMNA
SCHEMBL4643445 0.86 RAB9A (0.46) SMN1; SMN2TMPRSS15KMT2AMAPTTP53
SCHEMBL4647199 0.86 MCHR1 (0.46) TMPRSS15MAPTLMNAMCHR1
SCHEMBL5247267 0.86 MCHR1 (0.54) SMN1; SMN2HTTKMT2AMAPTTP53
SCHEMBL4643026 0.85 MCHR1 (0.42) SMN1; SMN2TMPRSS15KMT2AMAPTLMNA
SCHEMBL4641601 0.85 MAPT (0.43) SMN1; SMN2TMPRSS15KMT2AMAPTTP53

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