SCHEMBL8958413

SCHEMBL8958413

CC1(C)COC(c2cc(COC3CCCO3)ccc2-c2ccccc2)=N1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
TACR1 P25103 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1B P47901 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8958653 0.97 CREBBP (0.37) HRH3EP300CREBBPOXTRAVPR1A
SCHEMBL7093547 0.89 HRH3 (0.36) HRH3EP300CREBBPKDM4ECYP2D6
SCHEMBL7004715 0.86 ICAM1 (0.36) HRH3EP300CREBBPKDM4ECYP2D6
SCHEMBL8958596 0.80 HRH3 (0.39) HRH3KDM4ECYP2D6LMNA
SCHEMBL8958463 0.77 HRH3 (0.38) HRH3KDM4ECYP2D6LMNA
SCHEMBL7934334 0.71 KDM4E (0.45) HRH3KDM4ELMNA
SCHEMBL7112634 0.70 KDM4E (0.53) HRH3KDM4ECYP2D6LMNA
SCHEMBL7009195 0.69 HRH3 (0.42) HRH3KDM4ECYP2D6LMNA
SCHEMBL7937331 0.69 FABP4 (0.42) HRH3KDM4ELMNA
SCHEMBL8873345 0.69 MEN1 (0.36) HRH3OXTRAVPR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed