SCHEMBL6877503

SCHEMBL6877503

CCc1ccccc1NC(=S)NC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
MCHR1 Q99705 7/20 0.44
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
ADRA2A P08913 6/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 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
SCHEMBL6877493 1.00 TP53 (0.49) TP53MCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6463465 0.91 MCHR1 (0.44) TP53MCHR1SMN1; SMN2KDM4ELMNA
SCHEMBL6463450 0.91 MCHR1 (0.44) TP53MCHR1SMN1; SMN2KDM4ELMNA
SCHEMBL6877916 0.90 KMT2A (0.53) TP53MCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6877910 0.90 KMT2A (0.53) TP53MCHR1MAPTSMN1; SMN2KMT2A
SCHEMBL6872148 0.88 ALDH1A1 (0.55) MCHR1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL6872143 0.88 ALDH1A1 (0.55) MCHR1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL6878770 0.88 ALDH1A1 (0.45) TP53MCHR1MAPTSMN1; SMN2KDM4E
SCHEMBL6878768 0.88 ALDH1A1 (0.45) TP53MCHR1MAPTSMN1; SMN2KDM4E
SCHEMBL6873560 0.86 LMNA (0.56) MCHR1MAPTSMN1; SMN2KMT2AMEN1

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