SCHEMBL30349346

SCHEMBL30349346

CN1CCN(c2cc(N)ccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.60
HRH3 Q9Y5N1 2/20 0.60
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
ADRA2C P18825 2/20 0.51
OPRD1 P41143 3/20 0.50
HTR3A P46098 2/20 0.50
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
RAD52 P43351 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2378294 1.00 HRH4 (0.60) HRH4HRH3GRIN2DGRIN3BCHRM1
Acetic Acid SCHEMBL27854053 0.91 OPRD1 (0.60) HRH4HRH3GRIN2DGRIN3BCHRM1
SCHEMBL1811254 0.83 GRIN2D (0.57) HRH4HRH3GRIN2DGRIN3BCHRM1
SCHEMBL465754 0.83 GRIN2D (0.57) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL17095658 0.81 GRIN2D (0.55) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL30988524 0.81 GRIN2D (0.55) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL4172255 0.81 GRIN2D (0.49) HRH4HRH3GRIN2DGRIN3BCHRM1
SCHEMBL4180910 0.81 GAA (0.51) HRH4HRH3GRIN2DGRIN3BCHRM1
SCHEMBL10196855 0.80 HRH4 (0.61) HRH4HRH3GRIN2DGRIN3BGRIN1
SCHEMBL18278961 0.79 OPRD1 (0.54) HRH3GRIN2DGRIN3BCHRM1ADRA1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415818-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 EP disclosed
CN-111630030-B Novel benzamide derivatives as PPAR-gamma modulators 梅迪比奥法尔玛公司 2023-06-20 CN disclosed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed