SCHEMBL6881234

SCHEMBL6881234

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
ADRA2A P08913 1/20 0.46
EPHX2 P34913 1/20 0.42
EPHX1 P07099 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
DAGLA Q9Y4D2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 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
SCHEMBL6881237 1.00 MCHR1 (0.46) MCHR1ADRA2AEPHX2EPHX1SIGMAR1
SCHEMBL6872664 0.85 MCHR1 (0.43) MCHR1ADRA2ALMNAMEN1KMT2A
SCHEMBL6872666 0.85 MCHR1 (0.43) MCHR1ADRA2ALMNAMEN1KMT2A
SCHEMBL6875056 0.85 MCHR1 (0.49) MCHR1ADRA2AEPHX2EPHX1LMNA
SCHEMBL6875053 0.85 MCHR1 (0.49) MCHR1ADRA2AEPHX2EPHX1LMNA
SCHEMBL13794629 0.84 MCHR1 (0.63) MCHR1ADRA2AEPHX2SIGMAR1POLB
SCHEMBL6877314 0.84 MCHR1 (0.47) MCHR1ADRA2AEPHX1SIGMAR1MEN1
SCHEMBL6458281 0.84 MCHR1 (0.59) MCHR1ADRA2AMEN1KMT2A
SCHEMBL6458289 0.84 MCHR1 (0.59) MCHR1ADRA2AMEN1KMT2A
SCHEMBL6873170 0.83 MCHR1 (0.43) MCHR1ADRA2ALMNAMEN1KMT2A

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