SCHEMBL8804474

SCHEMBL8804474

CC(OC(=O)c1nn(C)c2ccccc12)C1CCCCN1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
CHRNA3 P32297 5/20 0.48
HTR3A P46098 4/20 0.48
HTR3E A5X5Y0 1/20 0.48
SLC22A2 O15244 1/20 0.48
HTR3B O95264 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SLC47A1 Q96FL8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RBP4 P02753 1/20 0.45
CHRNB4 P30926 4/20 0.43
ELANE P08246 2/20 0.43

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
SCHEMBL8802623 0.80 KDM4E (0.51) KDM4ECHRNA3HTR3AHTR3ESLC22A2
SCHEMBL8802608 0.77 CHRNB2 (0.57) KDM4ECHRNA3HTR3AHTR3ESLC22A2
SCHEMBL7278288 0.74 HTR3E (0.56) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL7271032 0.74 HTR3E (0.56) CHRNA3HTR3AHTR3EHTR3BCHRNB2
SCHEMBL27249759 0.72 MEN1 (0.72) KDM4ECHRNA3HTR3AHTR3ESLC22A2
SCHEMBL7502329 0.71 HTR3A (0.70) KDM4ECHRNA3HTR3AHTR3ESLC22A2
SCHEMBL27249716 0.70 RBP4 (0.65) KDM4ECHRNA3HTR3AHTR3ESLC22A2
SCHEMBL31575332 0.70 SSTR4 (0.44) KDM4ECHRNA3HTR3AHTR3ESLC22A2
SCHEMBL31302274 0.70 KDM4E (0.66) KDM4ECHRNA3HTR3AHTR3ESLC22A2
SCHEMBL1563104 0.70 KDM4E (0.66) KDM4ECHRNA3HTR3AHTR3ESLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4266873-A None JP disclosed
EP-0499995-B1 Piperidine derivatives NISSHIN FLOUR MILLING CO (JP) 1997-01-02 EP disclosed
US-5246945-A 5-hydroxytryptamine antagonist for nervous system disorders NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-09-21 US disclosed
JP-H04266873-A PIPERIDINE DERIVATIVE NISSHIN FLOUR MILLING CO LTD 1992-09-22 JP disclosed
EP-0499995-A2 Piperidine derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-08-26 EP disclosed