SCHEMBL5244396

SCHEMBL5244396

CN1CCOC(CN(C)c2nc3cc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
HTR1A P08908 4/20 0.47
HTR1F P30939 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
MCHR1 Q99705 4/20 0.44
HTR2C P28335 3/20 0.42
THRB P10828 2/20 0.41
HTR1B P28222 3/20 0.41
HTR1D P28221 2/20 0.41
MAPK1 P28482 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL13054294 1.00 MAPT (0.51) MAPTSMN1; SMN2TP53HTR1AHTR1F
Hydrochloric Acid SCHEMBL5248239 0.99 MAPT (0.50) MAPTSMN1; SMN2TP53HTR1AHTR1F
SCHEMBL5290458 0.89 MAPT (0.52) MAPTSMN1; SMN2TP53HTR1AHTR1F
SCHEMBL4643630 0.88 MAPT (0.41) MAPTSMN1; SMN2TP53HTR1AHTR1F
SCHEMBL13054177 0.82 MAPT (0.52) MAPTSMN1; SMN2TP53HTR1AHTR1F
SCHEMBL5302709 0.81 ALDH1A1 (0.56) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL5248489 0.81 HTR2C (0.55) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL3748607 0.81 MCHR1 (0.49) MAPTSMN1; SMN2TP53HTR1AHTR1F
Hydrochloric Acid SCHEMBL5244746 0.81 ALDH1A1 (0.55) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL5251678 0.80 MAPT (0.56) MAPTSMN1; SMN2TP53HTR1AHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed