SCHEMBL20204901

SCHEMBL20204901

Fc1ccc(Br)cc1CCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.39
HTR2A P28223 6/20 0.37
HTR2C P28335 6/20 0.37
KDM1A O60341 3/20 0.35
KDM1B Q8NB78 1/20 0.35
DPP4 P27487 1/20 0.34
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL15252941 0.80 HTR2A (0.42) MAOBMAOAHTR2AHTR2CKDM1A
SCHEMBL17997278 0.79 HTR2A (0.44) MAOBMAOAHTR2AHTR2CKDM1A
SCHEMBL22170138 0.79 MAOB (0.40) MAOBMAOAHTR2AHTR2CSLC6A4
SCHEMBL18374089 0.79 MAOB (0.40) MAOBMAOAHTR2AHTR2CSLC6A4
SCHEMBL13464689 0.78 CEL (0.44) MAOBMAOAHTR2AHTR2CKDM1A
SCHEMBL28027009 0.78 HTR2A (0.43) MAOBMAOAHTR2AHTR2CDPP4
SCHEMBL23052673 0.76 MAOB (0.38) MAOBMAOAHTR2AHTR2CSLC6A4
SCHEMBL20204601 0.76 CYP2D6 (0.39) MAOBMAOAHTR2AHTR2C
SCHEMBL15554512 0.75 DPP4 (0.39) HTR2AKDM1AKDM1BDPP4POLB
SCHEMBL5041752 0.75 TAAR1 (0.50) HTR2ADPP4POLB

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
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed