SCHEMBL4754337

SCHEMBL4754337

O=CCN1CCN(c2nc(C3CCCCC3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 16/20 0.43
HRH4 Q9H3N8 2/20 0.42
HTT P42858 2/20 0.42
HTR3A P46098 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
PAX8 Q06710 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GBA1 P04062 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4753784 0.85 NTSR1 (0.61) NTSR1HTTHTR3AALDH1A1MAPT
SCHEMBL4095784 0.84 NTSR1 (0.50) NTSR1HRH4ALDH1A1MAPTPAX8
SCHEMBL4095812 0.82 HRH4 (0.57) NTSR1HRH4HTR3AALDH1A1MAPT
SCHEMBL4095281 0.80 NTSR1 (0.49) NTSR1HRH4ALDH1A1MAPTPAX8
SCHEMBL4755939 0.78 ABCG2 (0.50) HTTALDH1A1MAPTGBA1KDM4E
SCHEMBL4094967 0.78 IDE (0.50) NTSR1ALDH1A1MAPTKDM4ELMNA
SCHEMBL4085177 0.75 NTSR1 (0.48) NTSR1HRH4ALDH1A1MAPTPAX8
SCHEMBL4088803 0.75 NTSR1 (0.48) NTSR1HRH4ALDH1A1MAPTPAX8
SCHEMBL4789131 0.75 NTSR1 (0.41) NTSR1HRH4HTR3AALDH1A1MAPT
SCHEMBL4093036 0.73 HRH4 (0.54) NTSR1HRH4HTR3AALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed