SCHEMBL13796247

SCHEMBL13796247

CN(C)c1nc(N[C@H]2CC[C@@H](CNCCc3sc(-c4ccccc4)nc3-c3ccc(Cl)cc3)CC2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.48
▸ ADRA2A P08913 12/20 0.48
▸ NPY5R Q15761 9/20 0.47
▸ HTR1A P08908 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL13795042 0.95 MCHR1 (0.51) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794574 0.91 MCHR1 (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794668 0.89 NPY5R (0.49) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13792943 0.86 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794423 0.85 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795376 0.83 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795542 0.83 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795431 0.82 MCHR1 (0.50) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13796134 0.82 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795109 0.81 MCHR1 (0.56) 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 2 patents. 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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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