SCHEMBL6872967

SCHEMBL6872967

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Cc3sc(-c4ccccc4)nc3-c3ccc(Cl)cc3)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PTGDR2 Q9Y5Y4 12/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ADRA2A P08913 3/20 0.41
▸ MCHR1 Q99705 3/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 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
SCHEMBL6872968 1.00 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL13792943 0.87 MCHR1 (0.55) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL6461791 0.84 LMNA (0.54) ADRA2AMCHR1HRH1HTR2BPOLB
SCHEMBL6460008 0.84 LMNA (0.54) ADRA2AMCHR1HRH1HTR2BPOLB
SCHEMBL6877536 0.83 MCHR1 (0.41) KMT2AMEN1ALDH1A1ADRA2AMCHR1
SCHEMBL6877531 0.83 MCHR1 (0.41) KMT2AMEN1ALDH1A1ADRA2AMCHR1
SCHEMBL13794836 0.81 MCHR1 (0.56) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL6457223 0.81 KMT2A (0.52) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL6457220 0.81 KMT2A (0.52) KMT2AMAPTMEN1SMN1; SMN2PTGDR2
SCHEMBL6877146 0.81 EPHX2 (0.48) KMT2AMEN1ALDH1A1ADRA2AMCHR1

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
Send feedback