SCHEMBL16369403

SCHEMBL16369403

CC(C)c1cc2c(cc1C(F)(F)F)CC=C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL5336267 0.79 CA1 (0.30)
SCHEMBL12745355 0.77
SCHEMBL12784637 0.77
SCHEMBL16369411 0.77 PDE3B (0.33) PDE3BPDE3AHTR2CHTR2AHTR2B
SCHEMBL16369410 0.77 EIF4A3 (0.32)
SCHEMBL2959355 0.75
SCHEMBL23625165 0.74 NOTUM (0.40) PDE3BPDE3ANOTUM
SCHEMBL19130837 0.73 LMNA (0.40) HTR2CHTR2B
SCHEMBL24165388 0.72 NOTUM (0.39) PDE3BPDE3AHTR2CNOTUM
SCHEMBL2973303 0.71

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
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed