SCHEMBL21887075

SCHEMBL21887075

CN1CC[C@H](Oc2ccc(C#N)cc2)C1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.85
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
PDE10A Q9Y233 1/20 0.52
FPR2 P25090 1/20 0.50
PROKR1 Q8TCW9 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
ACACB O00763 1/20 0.49

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
SCHEMBL229024 0.92 HRH3 (1.00) HRH3PDE3BPDE3APDE10AFPR2
SCHEMBL20205990 0.88 HRH3 (0.71) HRH3FPR2PROKR1GPR119
SCHEMBL4236739 0.82 HRH3 (0.84) HRH3GPR119
SCHEMBL14578240 0.81 HRH3 (0.56) HRH3ACACB
SCHEMBL4237843 0.81 HRH3 (0.72) HRH3
SCHEMBL24596869 0.80 HRH3 (0.54) HRH3ACACB
SCHEMBL10267759 0.80 HTR2C (0.59) HRH3FPR2PROKR1ACACB
SCHEMBL24596865 0.80 HRH3 (0.54) HRH3ACACB
SCHEMBL15830259 0.80 HTR2C (0.59) HRH3FPR2PROKR1ACACB
SCHEMBL189416 0.80 HRH3 (0.54) HRH3ACACB

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-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 WO disclosed