SCHEMBL13794729

SCHEMBL13794729

COc1ccc(CCCC(=O)N[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.59
▸ ADRA2A P08913 16/20 0.59
▸ APP P05067 3/20 0.57
▸ BCHE P06276 2/20 0.57
▸ ACHE P22303 2/20 0.57
▸ NPY5R Q15761 3/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ HRH1 P35367 1/20 0.53
▸ HTR2B P41595 1/20 0.53

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
SCHEMBL13794098 0.95 MCHR1 (0.61) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13795125 0.91 MCHR1 (0.55) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13792798 0.91 MCHR1 (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13794825 0.88 MCHR1 (0.61) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13794418 0.86 APP (0.56) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13795850 0.85 APP (0.64) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13793683 0.85 MCHR1 (0.60) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13794586 0.85 APP (0.63) MCHR1ADRA2AAPPBCHEACHE
SCHEMBL13794256 0.85 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793213 0.85 MCHR1 (0.58) MCHR1ADRA2AAPPBCHEACHE

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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