SCHEMBL6867927

SCHEMBL6867927

Cc1c(Cl)cccc1NC(=O)NC[C@H]1CC[C@@H](Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
NPY5R Q15761 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
MCHR1 Q99705 4/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
ADRA2A P08913 3/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL6867931 1.00 TP53 (0.46) TP53NPY5RSMN1; SMN2TSHRKMT2A
SCHEMBL6878437 0.93 NPY5R (0.43) TP53NPY5RSMN1; SMN2MCHR1RAB9A
SCHEMBL6878430 0.93 NPY5R (0.43) TP53NPY5RSMN1; SMN2MCHR1RAB9A
SCHEMBL6456897 0.93 MEN1 (0.42) TP53NPY5RSMN1; SMN2KMT2AMCHR1
SCHEMBL6456892 0.93 MEN1 (0.42) TP53NPY5RSMN1; SMN2KMT2AMCHR1
Hydrochloric Acid SCHEMBL6459011 0.92 MEN1 (0.41) TP53NPY5RSMN1; SMN2KMT2AMCHR1
Hydrochloric Acid SCHEMBL6459006 0.92 MEN1 (0.41) TP53NPY5RSMN1; SMN2KMT2AMCHR1
SCHEMBL6868236 0.90 NPY5R (0.43) NPY5RSMN1; SMN2MCHR1LMNAADRA2A
SCHEMBL6868239 0.90 NPY5R (0.43) NPY5RSMN1; SMN2MCHR1LMNAADRA2A
SCHEMBL6867311 0.89 KDM4E (0.43) TP53NPY5RSMN1; SMN2KMT2AMCHR1

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