SCHEMBL21960469

SCHEMBL21960469

CN1CCCCCCCCCCCCCCC1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 1/20 0.36
MGLL Q99685 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.32
NCF1 P14598 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
CHKA P35790 1/20 0.31
PHGDH O43175 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18807723 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL11138954 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL12316976 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL20124473 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL414741 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
N-Methylpiperidine SCHEMBL1920 1.00
N-Methylpiperidine SCHEMBL6660565 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL3793955 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
SCHEMBL12952612 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E
N-Methylpiperidine SCHEMBL11736662 1.00 HRH3 (0.37) HRH3LMNAMGLLTDP1KDM4E

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
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed