SCHEMBL29688686

SCHEMBL29688686

Cc1nnc(N2CCNCC2)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
CACNA2D1 P54289 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
ADRB1 P08588 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR2C P28335 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL20135261 1.00 PDE10A (0.41) PDE10ACACNA2D1CACNA2D2ADRB1SMN1; SMN2
SCHEMBL1828990 0.81 PDE10A (0.50) PDE10AADRB1CHRNB2CHRNA4HRH4
SCHEMBL1830467 0.70 SMO (0.70) HTR2C
SCHEMBL30040822 0.69 HTR2C (0.53) ADRB1CHRNB2CHRNA4HTR2C
SCHEMBL9045898 0.69 HTR2C (0.53) ADRB1CHRNB2CHRNA4HTR2C
Hydrochloric Acid SCHEMBL23932476 0.68 HTR2C (0.51) CHRNB2CHRNA4HTR2C
Hydrochloric Acid SCHEMBL30041876 0.68 HTR2C (0.51) CHRNB2CHRNA4HTR2C
SCHEMBL605163 0.68 HRH4 (0.55) PDE10AHRH4
SCHEMBL8339118 0.68 BPTF (0.50) PDE10AADRB1CHRNB2CHRNA4HTR2C
SCHEMBL13931121 0.68 HTR2C (0.41) PDE10AADRB1CHRNB2CHRNA4HTR2C

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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed