SCHEMBL17538697

SCHEMBL17538697

Bc1cnc2c(c1CCC(C)C)c(=O)n(CCCOC=O)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 4/20 0.41
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CFTR P13569 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 2/20 0.31
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE1C Q14123 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
LMNA P02545 1/20 0.31
PDE5A O76074 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PDE4A P27815 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA1 P30542 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
SCHEMBL17509579 0.88 TRPC5 (0.41) TRPC5MAOAMAOBCFTRTDP1
SCHEMBL17509570 0.87 TRPC5 (0.40) TRPC5MAOAMAOBCFTRTDP1
SCHEMBL17509576 0.83 TRPC5 (0.55) TRPC5MAOAMAOBTDP1LMNA
SCHEMBL17538648 0.80 TRPC5 (0.49) TRPC5MAOAMAOBTDP1KMT2A
SCHEMBL17509554 0.77 TRPC5 (0.49) TRPC5LMNA
SCHEMBL17509559 0.77 TRPC5 (0.41) TRPC5MAOAMAOB
SCHEMBL17538691 0.77 TRPC5 (0.35) TRPC5TDP1KMT2ACYP3A4
SCHEMBL17509575 0.74 TRPC5 (0.44) TRPC5KMT2AADORA2B
SCHEMBL17508800 0.73 TRPC5 (0.76) TRPC5KMT2ACYP1A2CYP3A4TSHR
SCHEMBL17509081 0.73 TRPC5 (0.53) TRPC5MAOAMAOBADORA2AADORA2B

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
WO-2016023830-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO disclosed