SCHEMBL8836053

SCHEMBL8836053

C=C/C=C/C1CCC(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM1A O60341 2/20 0.32
MAOB P27338 1/20 0.32
USP5 P45974 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
USP30 Q70CQ3 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 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
SCHEMBL8836059 1.00 HTR2A (0.33) HTR2AHTR2CHTR2BHDAC2KDM1A
SCHEMBL8836056 1.00 HTR2A (0.33) HTR2AHTR2CHTR2BHDAC2KDM1A
SCHEMBL8835262 0.96 USP5 (0.32) HTR2AHTR2CHTR2BHDAC2KDM1A
SCHEMBL8835265 0.96 USP5 (0.32) HTR2AHTR2CHTR2BHDAC2KDM1A
SCHEMBL8835260 0.96 USP5 (0.32) HTR2AHTR2CHTR2BHDAC2KDM1A
SCHEMBL8835660 0.84 KDM1A (0.44) HTR2AKDM1AKCNH2
SCHEMBL8835669 0.84 KDM1A (0.44) HTR2AKDM1AKCNH2
SCHEMBL8835665 0.84 KDM1A (0.44) HTR2AKDM1AKCNH2
SCHEMBL8835279 0.84
SCHEMBL8835283 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed