SCHEMBL30224671

SCHEMBL30224671

CC1(C)OB([C@H]2C[C@@H]2c2cnc3c(C(F)(F)F)cccc3c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
KDM1A O60341 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A4 P31645 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
MAOB P27338 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
SCHEMBL30224563 0.87 TRPM5 (0.39) TRPM5
SCHEMBL30224533 0.80 SLC6A4 (0.50) KDM1ASLC6A4MAOB
SCHEMBL30224216 0.76
SCHEMBL30224580 0.76 HRH3 (0.38) KDM1AMAOB
SCHEMBL25005258 0.75 KDM4E (0.38) KDM4EKDM1ACNR1CNR2SLC6A4
SCHEMBL25005707 0.75 SLC6A4 (0.44) KDM4EKDM1ACNR1CNR2SLC6A4
SCHEMBL30181776 0.74 HTR2C (0.50) KDM1A
SCHEMBL30181836 0.73 CHRNB2 (0.44) KDM1A
SCHEMBL30224864 0.73 CHRNB2 (0.44) KDM1A
SCHEMBL30181642 0.73 KDM1A (0.54) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed