SCHEMBL6875217

SCHEMBL6875217

CCc1ccccc1NC(=O)NC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MCHR1 Q99705 2/20 0.42
KMT2A Q03164 3/20 0.40
NPY5R Q15761 3/20 0.40
ADRA2A P08913 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 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
SCHEMBL6875222 1.00 TP53 (0.45) TP53MAPTSMN1; SMN2MCHR1KMT2A
SCHEMBL7047583 0.94 MCHR1 (0.41) TP53MAPTSMN1; SMN2MCHR1KMT2A
SCHEMBL7047585 0.94 MCHR1 (0.41) TP53MAPTSMN1; SMN2MCHR1KMT2A
SCHEMBL6463234 0.91 MCHR1 (0.42) TP53MAPTSMN1; SMN2MCHR1NPY5R
SCHEMBL6464350 0.91 MCHR1 (0.42) TP53MAPTSMN1; SMN2MCHR1NPY5R
SCHEMBL6867313 0.90 KDM4E (0.43) TP53MAPTSMN1; SMN2MCHR1KMT2A
SCHEMBL6867311 0.90 KDM4E (0.43) TP53MAPTSMN1; SMN2MCHR1KMT2A
SCHEMBL6867920 0.90 ACP1 (0.44) MCHR1KMT2ANPY5RADRA2ATRPV1
SCHEMBL6867914 0.90 ACP1 (0.44) MCHR1KMT2ANPY5RADRA2ATRPV1
SCHEMBL6878430 0.90 NPY5R (0.43) TP53MAPTSMN1; SMN2MCHR1NPY5R

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