SCHEMBL5743363

SCHEMBL5743363

O=C(C1CCc2c(ccc(Cl)c2Nc2cccnc2)NC1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
CRHR1 P34998 1/20 0.37
CYP11B2 P19099 1/20 0.36
LCK P06239 1/20 0.36
HTT P42858 2/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CSF1R P07333 1/20 0.34
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5757418 0.73 KDM4E (0.32) CRHR1KMT2ALMNA
SCHEMBL507545 0.70 HTR2C (0.46) HTR2AHTR2C
SCHEMBL5732341 0.67 RAB9A (0.40) KMT2ANPSR1L3MBTL1
SCHEMBL507779 0.65 HTR2A (0.47) HTR2AHTR2CKMT2A
Succinic Acid SCHEMBL506655 0.65 HTR2A (0.40) HTR2AHTR2CCYP11B2LCKHTT
SCHEMBL6626721 0.63 ALDH1A1 (0.34) KMT2A
SCHEMBL8016725 0.59 HTT (0.71) CYP11B2HTTRECQLTSHRKMT2A
SCHEMBL22920041 0.58 L3MBTL1 (0.60) CYP11B2HTTKMT2ANPSR1L3MBTL1
SCHEMBL19139794 0.58 NPC1 (0.45) CYP11B2LCKHTTRECQLTSHR
SCHEMBL18038519 0.57 GSK3A (0.67) KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed