SCHEMBL4660732

SCHEMBL4660732

COc1ccc(C(=O)Nc2cnc(OC)c(-c3c(Cl)cnn3C)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.51
HTR2C P28335 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
NAMPT P43490 1/20 0.43
PTPN1 P18031 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL4659253 0.89 HTR2A (0.58) HTR2AHTR2CSMN1; SMN2RAB9A
SCHEMBL4660702 0.88 HTR2A (0.52) HTR2AHTR2CSMN1; SMN2KDM4E
SCHEMBL4838138 0.86 HTR2A (0.55) HTR2AHTR2CSMN1; SMN2
SCHEMBL4792402 0.82 HTR2A (0.68) HTR2AHTR2C
SCHEMBL4763584 0.82 HTR2A (0.59) HTR2AHTR2C
SCHEMBL4659250 0.81 HTR2A (0.66) HTR2AHTR2CMAPT
SCHEMBL14398267 0.80 HTR2A (0.48) HTR2AHTR2CALDH1A1MAPTMEN1
SCHEMBL4660710 0.80 HTR2A (0.74) HTR2AHTR2C
SCHEMBL4660554 0.79 HTR2A (0.59) HTR2AHTR2C
SCHEMBL4661872 0.79 HTR2A (0.63) 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 3 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
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