SCHEMBL4789131

SCHEMBL4789131

CCC1CN(c2nc(C3CCCCC3)nc3ccc(Cl)cc23)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 14/20 0.41
KMT2A Q03164 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HTR3A P46098 1/20 0.38
IDH1 O75874 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PAX8 Q06710 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL4095281 0.79 NTSR1 (0.49) NTSR1HRH4ALDH1A1MAPTPAX8
SCHEMBL4094967 0.79 IDE (0.50) NTSR1KMT2AALDH1A1MAPT
SCHEMBL4095812 0.78 HRH4 (0.57) NTSR1HRH4HTR3AALDH1A1MAPT
SCHEMBL4095784 0.77 NTSR1 (0.50) NTSR1HRH4ALDH1A1MAPTPAX8
SCHEMBL4754337 0.75 NTSR1 (0.43) NTSR1HRH4HTR3AALDH1A1MAPT
SCHEMBL4739518 0.70 HRH4 (0.62) HRH4
SCHEMBL4093036 0.69 HRH4 (0.54) NTSR1HRH4HTR3AALDH1A1MAPT
SCHEMBL13984220 0.69 MPO (0.47) HRH4HTR3AALDH1A1
SCHEMBL4088803 0.68 NTSR1 (0.48) NTSR1HRH4ALDH1A1MAPTPAX8
SCHEMBL4085177 0.68 NTSR1 (0.48) NTSR1HRH4ALDH1A1MAPTPAX8

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