SCHEMBL6804449

SCHEMBL6804449

NC1CC(=O)CC(c2cc(F)ccc2F)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
KDM1B Q8NB78 1/20 0.54
DPP4 P27487 9/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR2 Q8TDS4 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL426443 0.88 KDM1A (0.53) KDM1AKDM1BDPP4MEN1NPC1
SCHEMBL7687326 0.85 HTR2A (0.38) KDM1AKDM1BCHRNB2CHRNA4
SCHEMBL6794027 0.81 KDM1A (0.46) KDM1AKDM1BDPP4MEN1NPC1
SCHEMBL7679054 0.80 HTR2C (0.45)
SCHEMBL28255706 0.74 HCAR2 (0.46) KDM1AKDM1BDPP4MEN1NPC1
SCHEMBL18792912 0.72 KDM1A (0.49) KDM1AKDM1BDPP4DPP8DPP9
SCHEMBL1754910 0.72 KDM1A (0.49) KDM1AKDM1BDPP4DPP8DPP9
SCHEMBL15566855 0.72 KDM1A (0.55) KDM1AKDM1BHCAR2CHRNB2CHRNB4
SCHEMBL12958096 0.70 SLC9A1 (0.45) KDM1AKDM1BCHRNB2CHRNB4CHRNA3
SCHEMBL11773147 0.69 KDM1A (0.52) KDM1AKDM1BMEN1NPC1KMT2A

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
US-6706732-B1 PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed