SCHEMBL6201055

SCHEMBL6201055

Cn1ncc(Br)c1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.78
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR2C P28335 9/20 0.53
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KCNK3 O14649 1/20 0.49
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL6201624 0.88 HTR2A (1.00) HTR2AHTR2C
SCHEMBL6196807 0.83 HTR2A (0.80) HTR2AHTR2CMAPTLMNANPC1
SCHEMBL6197646 0.83 HTR2A (0.80) HTR2AHTR2C
SCHEMBL6201425 0.83 HTR2A (0.72) HTR2AHTR2CMAPTALDH1A1HPGD
SCHEMBL6670281 0.82 HTR2A (0.71) HTR2AMEN1KMT2AHTR2CMAPT
SCHEMBL5946754 0.81 HTR2A (0.73) HTR2AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6275190 0.81 HTR2A (0.69) HTR2AHTR2CMAPTALDH1A1HPGD
SCHEMBL6198081 0.80 HTR2A (0.80) HTR2AMEN1KMT2AHTR2CLMNA
SCHEMBL6198032 0.79 HTR2A (0.61) HTR2AMEN1KMT2AMAPTKDM4E
SCHEMBL6194881 0.79 HTR2A (0.77) HTR2AHTR2C

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-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP claimed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO claimed
EP-1509505-A2 SMALL MOLECULE MODULATORS OF THE 5−HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-03-02 EP disclosed
WO-2003062206-A2 SMALL MOLECULE MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2003-07-31 WO disclosed