SCHEMBL7861342

SCHEMBL7861342

CC(C)CCCCCCN(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MCHR1 Q99705 1/20 0.42
DHFR P00374 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AOC3 Q16853 3/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL13223814 0.98 CHRM1 (0.43) CHRM1HTR2AMCHR1DHFRPSEN1
SCHEMBL13223816 0.84 ALDH1A1 (0.42) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL21523210 0.82 SIGMAR1 (0.42) HTR2ATAAR1
SCHEMBL13223815 0.82 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13223811 0.81 MAPT (0.38) CHRM1MAPTKMT2AKDM4EALDH1A1
SCHEMBL13223813 0.81 MAPT (0.38) MAPTKMT2AKDM4EALDH1A1AOC3
SCHEMBL13223809 0.80 SIGMAR1 (0.42) HTR2AMAPTKMT2AKDM4EALDH1A1
SCHEMBL17351162 0.80 KCNH2 (0.51) CHRM1HTR2AMCHR1MAPTKCNH2
SCHEMBL13223820 0.80 DHFR (0.44) DHFRMAPTKMT2AKDM4EALDH1A1
SCHEMBL13261441 0.78 MAPT (0.50) CHRM1HTR2AMCHR1DHFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 US disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 EP disclosed