SCHEMBL6873170

SCHEMBL6873170

CN(C)c1cc(N[C@H]2CC[C@@H](CN(Cc3ccc([N+](=O)[O-])cc3)C(=O)O)CC2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
ADRA2A P08913 1/20 0.43
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
MAPK1 P28482 1/20 0.38
NPY5R Q15761 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL6873180 1.00 MCHR1 (0.43) MCHR1ADRA2APOLBMAPTCYP1A2
SCHEMBL6873185 1.00 MCHR1 (0.43) MCHR1ADRA2APOLBMAPTCYP1A2
SCHEMBL6872664 0.84 MCHR1 (0.43) MCHR1ADRA2APOLBMAPTMEN1
SCHEMBL6872666 0.84 MCHR1 (0.43) MCHR1ADRA2APOLBMAPTMEN1
SCHEMBL6877165 0.84 MCHR1 (0.38) MCHR1ADRA2AMAPTNPY5RLMNA
SCHEMBL6877170 0.84 MCHR1 (0.38) MCHR1ADRA2AMAPTNPY5RLMNA
SCHEMBL6881234 0.83 MCHR1 (0.46) MCHR1ADRA2APOLBMEN1KMT2A
SCHEMBL6881237 0.83 MCHR1 (0.46) MCHR1ADRA2APOLBMEN1KMT2A
SCHEMBL6880541 0.82 MCHR1 (0.41) MCHR1ADRA2AMAPTMEN1KMT2A
SCHEMBL6878517 0.82 MCHR1 (0.42) MCHR1ADRA2ACYP1A2CYP3A4NPSR1

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