SCHEMBL6867313

SCHEMBL6867313

Cc1ccccc1NC(=O)NCC1CCC(Nc2cc(N(C)C)c3ccccc3n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
MCHR1 Q99705 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 2/20 0.41
NPY5R Q15761 3/20 0.40
ADRA2A P08913 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
KMT2A Q03164 2/20 0.39
S1PR1 P21453 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL6867311 1.00 KDM4E (0.43) KDM4EMCHR1SMN1; SMN2LMNAL3MBTL1
SCHEMBL6875428 0.91 MCHR1 (0.43) KDM4EMCHR1SMN1; SMN2LMNANPY5R
SCHEMBL6875436 0.91 MCHR1 (0.43) KDM4EMCHR1SMN1; SMN2LMNANPY5R
SCHEMBL6878437 0.90 NPY5R (0.43) KDM4EMCHR1SMN1; SMN2LMNAMAPT
SCHEMBL6875222 0.90 TP53 (0.45) KDM4EMCHR1SMN1; SMN2LMNAMAPT
SCHEMBL6875217 0.90 TP53 (0.45) KDM4EMCHR1SMN1; SMN2LMNAMAPT
SCHEMBL6874851 0.90 MCHR1 (0.42) KDM4EMCHR1SMN1; SMN2LMNAMAPT
SCHEMBL6874846 0.90 MCHR1 (0.42) KDM4EMCHR1SMN1; SMN2LMNAMAPT
SCHEMBL6878430 0.90 NPY5R (0.43) KDM4EMCHR1SMN1; SMN2LMNAMAPT
SCHEMBL6463263 0.90 MCHR1 (0.42) KDM4EMCHR1SMN1; SMN2LMNAMAPT

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