SCHEMBL5651569

SCHEMBL5651569

CCC1=NCCN1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
KDM4E B2RXH2 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
HTR1D P28221 6/20 0.40
ADRA1A P35348 7/20 0.40
ADRA1D P25100 6/20 0.40
ADRA1B P35368 6/20 0.40
HTR1B P28222 3/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
RAD52 P43351 1/20 0.36

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
SCHEMBL108044 0.84
SCHEMBL9210434 0.75 RAD52 (0.44) TAAR1KDM4ENISCHHTR1DADRA1A
Phosphoric Acid SCHEMBL2806511 0.72 KDM4E (0.47) TAAR1KDM4ENISCHHTR1DADRA1A
SCHEMBL7265518 0.72 TAAR1 (0.44) TAAR1KDM4ENISCHHTR1DADRA1A
SCHEMBL2632724 0.71
SCHEMBL20912399 0.70
SCHEMBL10629978 0.69 FDPS (0.44) TAAR1KDM4ENISCHADRA1AADRA1D
Phosphoric Acid SCHEMBL4317328 0.69 ADRA2B (0.44) TAAR1KDM4ENISCHHTR1DADRA1A
SCHEMBL20836033 0.68 NISCH (0.47) TAAR1NISCHHTR1DADRA1AADRA1D
SCHEMBL14218507 0.68 TAAR1 (0.44) TAAR1NISCHHTR1DADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed