SCHEMBL7366247

SCHEMBL7366247

CN(C)Cc1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.77
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
HTR6 P50406 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TRPM8 Q7Z2W7 2/20 0.46
HTR1D P28221 1/20 0.46
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL12558834 0.87 HTR2A (1.00) HTR2AHTR2CHTR2BHTR6TRPM8
SCHEMBL29511892 0.87 HTR2A (1.00) HTR2AHTR2CHTR2BHTR6TRPM8
SCHEMBL8545281 0.84 HTR2A (0.56) HTR2AHTR2CHTR2BHTR6KMT2A
SCHEMBL11068196 0.82 HTR2A (0.67) HTR2AKMT2AMEN1TRPM8MAPT
SCHEMBL11263785 0.82 HTR2A (0.67) HTR2AKMT2AKDM4ETRPM8MAPT
SCHEMBL23805297 0.82 HTR2A (0.67) HTR2AHTR6KMT2AKDM4ETRPM8
SCHEMBL23723405 0.82 HTR2A (0.84) HTR2AHTR2CHTR2BHTR6KMT2A
SCHEMBL23805249 0.82 HTR2A (0.80) HTR2AHTR2CHTR2BHTR6TRPM8
SCHEMBL29361521 0.81 HTR2A (1.00) HTR2AHTR2CHTR2BHTR6KMT2A
SCHEMBL23805214 0.81 HTR2A (0.79) HTR2AHTR2CHTR2BHTR6TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945397-B2 Methods of inhibiting cyanobacteria growth by administering gramine derivatives CYANOTROL, LLC (US) 2015-02-03 US disclosed
US-8945397-B2 Methods of inhibiting cyanobacteria growth by administering gramine derivatives CYANOTROL, LLC (US) 2015-02-03 US disclosed
US-20140110350-A1 METHODS OF INHIBITING CYANOBACTERIA GROWTH BY ADMINISTERING GRAMINE DERIVATIVES SAN FRANCISCO STATE UNIVERSITY (US) 2014-04-24 US disclosed
US-20140110350-A1 METHODS OF INHIBITING CYANOBACTERIA GROWTH BY ADMINISTERING GRAMINE DERIVATIVES SAN FRANCISCO STATE UNIVERSITY (US) 2014-04-24 US disclosed
US-5198553-A PROCESS FOR THE PRODUCTION OF GRAMINE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-30 US disclosed
WO-1992014709-A2 CALCIUM CHANNEL ANTAGONISTS AND METHODOLOGY FOR THEIR IDENTIFICATION CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed