SCHEMBL13795151

SCHEMBL13795151

CN(C)c1nc(N[C@H]2CC[C@@H](NCc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 19/20 0.49
▸ ADRA2A P08913 18/20 0.49
▸ NPY5R Q15761 5/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ KDM1A O60341 1/20 0.37
▸ RCOR1 Q9UKL0 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
SCHEMBL13794885 0.92 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795667 0.88 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793442 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795759 0.84 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794126 0.83 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795607 0.83 MCHR1 (0.50) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795744 0.83 MCHR1 (0.50) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794814 0.80 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796382 0.80 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795981 0.80 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A

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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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