SCHEMBL9026362

SCHEMBL9026362

COc1c(COC2CCCCO2)nc(OCc2ccccc2)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CFTR P13569 1/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
HTR2A P28223 2/20 0.32
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL9026158 0.95 KDM4C (0.36) KDM4CNPC1RAB9ACFTRHTR2C
SCHEMBL9026594 0.89 KDM4C (0.35) KDM4CNPC1RAB9ACFTRHTR2C
SCHEMBL9025840 0.83 KDM4C (0.40) KDM4CNPC1RAB9ACFTRHTR2C
SCHEMBL9026581 0.82 ALDH1A1 (0.37) HTR2CSLC6A4HTR2A
SCHEMBL9026029 0.80 ALDH1A1 (0.40)
SCHEMBL9026486 0.79 ALDH1A1 (0.36) HTR2CSLC6A4HTR2A
SCHEMBL9025976 0.76 PDE4A (0.35) HTR2CSLC6A4HTR2A
SCHEMBL9026181 0.75 HTR2C (0.33) HTR2CSLC6A4HTR2A
SCHEMBL9026300 0.74 PDE4A (0.33) CFTRHTR2CSLC6A4HTR2A
SCHEMBL9026201 0.72 LMNA (0.38) HTR2CSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed