Sugi Predict

Sugi Predict / Compounds / SCHEMBL13795236

SCHEMBL13795236

SCHEMBL13795236

CCOc1ccc(CN[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.60
▸ BCHE P06276 3/20 0.60
▸ ACHE P22303 3/20 0.60
▸ MCHR1 Q99705 14/20 0.55
▸ ADRA2A P08913 13/20 0.55
▸ NPY5R Q15761 3/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ HTR2B P41595 1/20 0.45

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
SCHEMBL13793387 0.96 APP (0.60) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13796569 0.95 MCHR1 (0.57) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13797429 0.94 BCHE (0.68) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13795725 0.90 MCHR1 (0.57) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13794692 0.89 APP (0.59) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13797454 0.88 MCHR1 (0.59) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13797328 0.88 APP (0.58) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13796668 0.88 MCHR1 (0.57) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13797437 0.88 APP (0.57) APPBCHEACHEMCHR1ADRA2A
SCHEMBL13795595 0.88 MCHR1 (0.56) APPBCHEACHEMCHR1ADRA2A

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