SCHEMBL7958499

SCHEMBL7958499

CCOCCn1c(C2(O)CCNCC2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH1 P35367 3/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7954887 0.79 KDM4E (0.47) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL9212633 0.75 HTR3A (0.66)
SCHEMBL991263 0.74 HRH1 (0.73) KDM4EHRH1KCNH2
SCHEMBL6598243 0.74 HTR3A (0.61)
SCHEMBL6151147 0.74 MEN1 (0.58) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL7463700 0.74 HTR3A (0.63) HRH1LMNARAB9AKCNH2
Hydrochloric Acid SCHEMBL28374789 0.74 HRH1 (0.72) KDM4EHRH1KCNH2
Hydrochloric Acid SCHEMBL21815483 0.74 HRH1 (0.72) KDM4EHRH1KCNH2
SCHEMBL6597271 0.73 KDM4E (0.66) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL7954906 0.73 HRH1 (0.52) KDM4EALDH1A1HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed