SCHEMBL2065657

SCHEMBL2065657

Cn1ncc(Cl)c1-c1cc(NC(=O)C2CC2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.60
HTR2C P28335 9/20 0.54
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
DRD1 P21728 1/20 0.43
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL5063296 0.81 HTR2A (0.79) HTR2AHTR2CKMT2A
SCHEMBL2064660 0.81 HTR2A (0.74) HTR2AHTR2C
SCHEMBL884357 0.81 HTR2A (0.88) HTR2AHTR2C
SCHEMBL884030 0.78 HTR2A (0.70) HTR2AHTR2C
SCHEMBL2063845 0.78 KDM6B (0.55) HTR2AHTR2CALDH1A1KDM4EHSD17B10
SCHEMBL2064457 0.77 HTR2A (0.82) HTR2AHTR2C
SCHEMBL1165507 0.77 HTR2A (0.77) HTR2AHTR2C
SCHEMBL884788 0.76 HTR2A (1.00) HTR2AHTR2C
SCHEMBL29572894 0.75 HTR2A (0.78) HTR2AHTR2CKDM4ESMN1; SMN2HTT
SCHEMBL1166745 0.75 HTR2A (0.78) HTR2AHTR2CKDM4ESMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148417-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2012-04-03 US disclosed