SCHEMBL23635285

SCHEMBL23635285

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
TEAD1 P28347 7/20 0.40
LIPE Q05469 1/20 0.40
P2RY14 Q15391 4/20 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
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
SCHEMBL23630440 0.78 LIPE (0.42) HTR2CLIPEP2RY14F2RADRB3
SCHEMBL2636716 0.71 LIPE (0.52) HTR2CLIPEP2RY14F2RADRB3
SCHEMBL5535882 0.70 LIPE (0.51) HTR2CLIPEP2RY14F2RADRB3
SCHEMBL15840446 0.68 EPHX2 (0.62) P2RY14CHRM2CHRM5CHRM1CHRM3
SCHEMBL2297690 0.68 P2RY14 (0.64) LIPEP2RY14
SCHEMBL1847401 0.67 HTR2C (0.73) HTR2C
SCHEMBL6884365 0.67 HTR2C (0.58) HTR2CLIPEP2RY14KCNH2
SCHEMBL8456276 0.67 HTR2C (0.46) HTR2CP2RY14F2RAOC3HSD11B1
SCHEMBL8456280 0.67 HTR2C (0.46) HTR2CP2RY14F2RAOC3HSD11B1
SCHEMBL8456277 0.67 HTR2C (0.46) HTR2CP2RY14F2RAOC3HSD11B1

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