SCHEMBL9026796

SCHEMBL9026796

COc1c(Cc2c[nH]c3ccc(O)cc23)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.44
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
CYP2D6 P10635 4/20 0.44
NFKB1 P19838 3/20 0.44
HTR2B P41595 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 3/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 5/20 0.41
BLM P54132 3/20 0.41
SPR P35270 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 3/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL9026223 0.90 PCSK9 (0.39) HTR2CHTR1AHTR2AHTR2BHTR1D
SCHEMBL9026430 0.90 GPR84 (0.51) HTR2CHTR1AHTR2ACYP2D6NFKB1
SCHEMBL9026831 0.89 IDO1 (0.45) HTR2CHTR1AHTR2AHTR2BKMT2A
SCHEMBL9027294 0.89 GPR84 (0.44) HTR2CHTR1AHTR2ASPRTSHR
SCHEMBL9026518 0.89 GPR84 (0.44) HTR2CHTR1AHTR2AHTR2BSLC6A4
SCHEMBL9025829 0.86 MAPT (0.42) HTR2CHTR1AHTR2ACYP2D6HTR2B
SCHEMBL9027098 0.78 SOS2 (0.43) HTR2ANPSR1MAPT
SCHEMBL9025614 0.78 AHR (0.41) KDM4ECYP3A4KMT2AMAPTMEN1
SCHEMBL9486584 0.78 AHR (0.40) HTR2CHTR1AHTR2ACYP2D6HTR2B
SCHEMBL9027577 0.78 MAPT (0.41) HTR2CHTR1AHTR2AHTR2BHTR1D

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
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
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