SCHEMBL13795182

SCHEMBL13795182

Cc1c(CN[C@H]2CC[C@@H](Cc3nc(N(C)C)c4ccccc4n3)CC2)sc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.38
▸ ADRA2A P08913 12/20 0.38
▸ NPY5R Q15761 4/20 0.38
▸ PDE10A Q9Y233 3/20 0.38
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL13796453 0.78 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794892 0.77 ALDH1A1 (0.47) MCHR1ADRA2ANPY5RCYP1A2CYP2D6
SCHEMBL14606606 0.74 PDE10A (0.51) MCHR1ADRA2ANPY5RPDE10ACYP1A2
SCHEMBL13794498 0.74 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL14606873 0.73 PDE10A (0.49) MCHR1ADRA2ANPY5RPDE10ACYP1A2
SCHEMBL13796088 0.72 MCHR1 (0.42) MCHR1ADRA2ANPY5RPDE10ACYP1A2
SCHEMBL13808297 0.70 CYP1A2 (0.41) MCHR1ADRA2ANPY5RPDE10ACYP1A2
SCHEMBL13795179 0.69 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13797329 0.68 MCHR1 (0.54) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795328 0.68 MCHR1 (0.55) 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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