Sugi Predict

Sugi Predict / Compounds / SCHEMBL13796374

SCHEMBL13796374

SCHEMBL13796374

COc1cc(CN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)ccc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.57
▸ ACHE P22303 3/20 0.57
▸ BCHE P06276 2/20 0.57
▸ MCHR1 Q99705 16/20 0.56
▸ ADRA2A P08913 15/20 0.56
▸ NPY5R Q15761 2/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ HTR2B P41595 1/20 0.49

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
SCHEMBL13797429 0.91 BCHE (0.68) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13795128 0.91 MCHR1 (0.56) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13797431 0.91 MCHR1 (0.56) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13795236 0.87 APP (0.60) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13797437 0.87 APP (0.57) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13796096 0.87 APP (0.57) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13797328 0.86 APP (0.58) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13797454 0.86 MCHR1 (0.59) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13795570 0.86 MCHR1 (0.56) APPACHEBCHEMCHR1ADRA2A
SCHEMBL13793387 0.85 APP (0.60) APPACHEBCHEMCHR1ADRA2A

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