SCHEMBL9054763

SCHEMBL9054763

CN(C1CCNCC1)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
CYP2D6 P10635 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
PRCP P42785 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL7597072 0.80 ALDH1A1 (0.49) HTR2CHTR2AHTR2BCYP2D6HTR1A
SCHEMBL7597067 0.80 ALDH1A1 (0.49) HTR2CHTR2AHTR2BCYP2D6HTR1A
SCHEMBL8485673 0.76 DRD3 (0.42) HTR2CHTR2ASIGMAR1HTR1A
SCHEMBL23032174 0.73 GPR3 (0.58) HTR2CHTR2ASIGMAR1ADRA1APRCP
SCHEMBL5860592 0.70 HTR2C (0.45) HTR2CHTR2AHTR2BSIGMAR1PRCP
SCHEMBL7517086 0.70 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AMEN1
SCHEMBL7517081 0.70 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AMEN1
SCHEMBL18716744 0.69 HTR2A (0.49) HTR2CHTR2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL10598187 0.69 HTR2C (0.45) HTR2CHTR2AHTR2BPRCPTAAR1
SCHEMBL23173231 0.67 SLC6A2 (0.32) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673376-B1 BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS ADIR (FR) 1996-05-22 EP disclosed
US-5508277-A Bicyclic pyrimidines ADIR ET COMPAGNIE (FR) 1996-04-16 US disclosed
EP-0673376-A1 NOVEL BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS. ADIR (FR) 1995-09-27 EP disclosed
WO-1994013668-A1 NOVEL BICYCLIC PYRIMIDINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS ADIR ET COMPAGNIE (FR) 1994-06-23 WO disclosed