SCHEMBL21486437

SCHEMBL21486437

CN1CCCC(Oc2ccccc2CN)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.53
CARM1 Q86X55 5/20 0.51
PRMT1 Q99873 5/20 0.51
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NCF1 P14598 1/20 0.46
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3289933 0.94 HRH1 (0.57) HRH1CARM1PRMT1KDM4ESMN1; SMN2
SCHEMBL3287623 0.92 MEN1 (0.46) HRH1CARM1PRMT1NCF1MEN1
SCHEMBL23004969 0.83 CARM1 (0.55) HRH1CARM1PRMT1
SCHEMBL29786357 0.83 CARM1 (0.58) HRH1CARM1PRMT1
SCHEMBL6492804 0.83 CARM1 (0.58) HRH1CARM1PRMT1
SCHEMBL20472407 0.82 CARM1 (0.61) HRH1CARM1PRMT1
SCHEMBL29786600 0.82 CARM1 (0.61) HRH1CARM1PRMT1
SCHEMBL14624279 0.81 HRH1 (0.62) HRH1CARM1PRMT1KDM4ESMN1; SMN2
SCHEMBL23761234 0.80 CARM1 (0.50) HRH1CARM1PRMT1
SCHEMBL30856498 0.80 CARM1 (0.50) HRH1CARM1PRMT1

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-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 WO disclosed