SCHEMBL6879814

SCHEMBL6879814

Cc1sc(-c2ccccc2)nc1CC(=O)N[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.46
▸ ADRA2A P08913 9/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL6879817 1.00 MCHR1 (0.46) MCHR1ADRA2ARXFP1LMNAKDM4E
SCHEMBL6872998 0.84 MCHR1 (0.51) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6872993 0.84 MCHR1 (0.51) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL13792721 0.83 MCHR1 (0.56) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL27652763 0.82 KMT2A (0.50) MCHR1ADRA2ARXFP1KDM4ESMN1; SMN2
SCHEMBL6874583 0.81 LMNA (0.52) MCHR1ADRA2ARXFP1LMNAKDM4E
SCHEMBL6874577 0.81 LMNA (0.52) MCHR1ADRA2ARXFP1LMNAKDM4E
SCHEMBL6867900 0.80 MCHR1 (0.51) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6867894 0.80 MCHR1 (0.51) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6875397 0.80 LMNA (0.52) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP disclosed
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