SCHEMBL8720506

SCHEMBL8720506

CC#Cn1nc(C(=O)Cl)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ELANE P08246 16/20 0.37
▸ F2 P00734 4/20 0.37
▸ PLAU P00749 4/20 0.37
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 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
SCHEMBL8716729 0.86 CYP1A2 (0.41) KDM4EELANEF2PLAUPOLB
SCHEMBL8717343 0.77 CYP1A2 (0.41) ELANECYP3A4TSHRHSD17B10HTR3A
SCHEMBL992781 0.76 KDM4E (0.60) KDM4EELANEF2PLAUALDH1A1
SCHEMBL31632586 0.76 KDM4E (0.60) KDM4EELANEF2PLAUALDH1A1
SCHEMBL8714243 0.74 KDM4E (0.43) KDM4EELANEF2PLAUHTR3E
SCHEMBL6950019 0.72 CYP1A2 (0.45) KDM4EELANEF2PLAUALDH1A1
SCHEMBL1405874 0.72 HTR4 (0.55) KDM4EKCNH2
SCHEMBL6954722 0.70 CNR1 (0.50) ELANEF2PLAUALDH1A1CYP3A4
SCHEMBL8713314 0.69 CYP1A2 (0.42) CYP3A4TSHRHSD17B10HTR3A
SCHEMBL29805489 0.69 NPSR1 (0.42) ELANEALDH1A1CYP3A4TSHRMAPK1

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-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 — — EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 — — US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 — — EP disclosed
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