SCHEMBL8958653

SCHEMBL8958653

CC1(C)COC(c2cc(COC3CCCCO3)ccc2-c2ccccc2)=N1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.37
EP300 Q09472 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL8958413 0.97 HRH3 (0.34) CREBBPEP300KDM4CICAM1SELE
SCHEMBL7004715 0.89 ICAM1 (0.36) CREBBPEP300KDM4CICAM1SELE
SCHEMBL7093547 0.86 HRH3 (0.36) CREBBPEP300KDM4CICAM1SELE
SCHEMBL8958463 0.77 HRH3 (0.38) HRH3KDM4ECYP2D6
SCHEMBL8873345 0.73 MEN1 (0.36) HRH3OXTRAVPR1A
SCHEMBL92954 0.72 NAAA (0.47) CREBBPEP300KDM4COXTRAVPR1A
SCHEMBL7934334 0.70 KDM4E (0.45) HRH3KDM4E
SCHEMBL7112634 0.69 KDM4E (0.53) HRH3KDM4ECYP2D6
SCHEMBL4184332 0.69 KDM4C (0.47) CREBBPEP300KDM4CICAM1SELE
SCHEMBL7937331 0.69 FABP4 (0.42) HRH3KDM4E

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