SCHEMBL6877916

SCHEMBL6877916

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
TP53 P04637 2/20 0.52
MCHR1 Q99705 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ADRA2A P08913 8/20 0.42
EPHX1 P07099 2/20 0.42
KDM4E B2RXH2 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
NPY5R Q15761 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6877910 1.00 KMT2A (0.53) KMT2ATP53MCHR1SMN1; SMN2MAPT
SCHEMBL6874689 0.94 TP53 (0.45) KMT2ATP53MCHR1SMN1; SMN2MAPT
SCHEMBL6874694 0.94 TP53 (0.45) KMT2ATP53MCHR1SMN1; SMN2MAPT
SCHEMBL6457991 0.91 EPHX1 (0.47) KMT2ATP53MCHR1SMN1; SMN2ADRA2A
SCHEMBL6457984 0.91 EPHX1 (0.47) KMT2ATP53MCHR1SMN1; SMN2ADRA2A
SCHEMBL6877493 0.90 TP53 (0.49) KMT2ATP53MCHR1SMN1; SMN2MAPT
SCHEMBL6877503 0.90 TP53 (0.49) KMT2ATP53MCHR1SMN1; SMN2MAPT
SCHEMBL6875222 0.89 TP53 (0.45) KMT2ATP53MCHR1SMN1; SMN2MAPT
SCHEMBL6875217 0.89 TP53 (0.45) KMT2ATP53MCHR1SMN1; SMN2MAPT
SCHEMBL6880627 0.89 RXFP1 (0.49) TP53MCHR1SMN1; SMN2ADRA2AEPHX1

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