SCHEMBL4660700

SCHEMBL4660700

Cn1ncc(Br)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cnc1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.56
HTR2C P28335 3/20 0.56
KCNQ3 O43525 2/20 0.53
KCNQ2 O43526 2/20 0.53
KCNE1 P15382 2/20 0.53
KCNQ1 P51787 2/20 0.53
KCNQ5 Q9NR82 1/20 0.53
CSF1R P07333 2/20 0.49
KIT P10721 2/20 0.49
RAF1 P04049 6/20 0.48
BRAF P15056 6/20 0.48
P2RX1 P51575 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4660602 0.88 HTR2A (0.60) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL884318 0.80 HTR2A (0.62) HTR2AHTR2C
SCHEMBL4660549 0.80 HTR2A (0.63) HTR2AHTR2CRAF1BRAF
SCHEMBL1166495 0.78 HTR2A (0.74) HTR2AHTR2C
SCHEMBL4660446 0.78 HTR2A (0.62) HTR2AHTR2C
SCHEMBL4659250 0.78 HTR2A (0.66) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL1165587 0.78 HTR2A (0.73) HTR2AHTR2C
SCHEMBL1165701 0.78 HTR2A (0.63) HTR2AHTR2C
SCHEMBL2064294 0.77 HTR2A (0.68) HTR2AHTR2CKCNQ3KCNQ2KCNE1
SCHEMBL1165675 0.77 HTR2A (0.65) 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-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP claimed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO claimed
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed