SCHEMBL23630440

SCHEMBL23630440

CSC(=C(C#N)C#N)N1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.42
HTR2C P28335 2/20 0.41
P2RY14 Q15391 5/20 0.39
F2R P25116 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1E P28566 1/20 0.39
TSPO P30536 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
HTR5A P47898 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL23630335 0.80 CA12 (0.50)
SCHEMBL23635285 0.78 HTR2C (0.41) LIPEHTR2CP2RY14F2RADRB3
SCHEMBL2636716 0.71 LIPE (0.52) LIPEHTR2CP2RY14F2RADRB3
SCHEMBL2297690 0.70 P2RY14 (0.64) LIPEP2RY14
SCHEMBL6884365 0.70 HTR2C (0.58) LIPEHTR2CP2RY14KCNH2DRD2
SCHEMBL5535882 0.70 LIPE (0.51) LIPEHTR2CP2RY14F2RADRB3
SCHEMBL4389325 0.68 USP30 (0.37) USP30
SCHEMBL15840446 0.68 EPHX2 (0.62) P2RY14CHRM2CHRM5CHRM1CHRM3
SCHEMBL14701249 0.68 HTR2C (0.54) LIPEHTR2CP2RY14DRD2DRD4
SCHEMBL1847401 0.67 HTR2C (0.73) HTR2C

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-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 WO disclosed