SCHEMBL20198524

SCHEMBL20198524

Cn1cc(CC2CCN(I)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
CCR3 P51677 1/20 0.35
PRMT6 Q96LA8 3/20 0.35
CARM1 Q86X55 2/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
JAK1 P23458 1/20 0.34
PRMT3 O60678 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL17835085 0.86 HRH3 (0.49) ALDH1A1HRH4HRH3JAK3JAK2
SCHEMBL17833993 0.81 HRH3 (0.51) ALDH1A1HRH3KCNH2
SCHEMBL20781647 0.77 HRH3 (0.39) ALDH1A1HRH3
SCHEMBL24296223 0.73 ALDH1A1 (0.39) ALDH1A1HRH3KCNH2PDE10A
SCHEMBL31200401 0.73 GSK3B (0.41) ALDH1A1JAK3JAK2SMN1; SMN2PKM
SCHEMBL16600416 0.72 CHEK1 (0.47) HRH4HRH3JAK3JAK2JAK1
SCHEMBL31200411 0.70 WNT1 (0.45) ALDH1A1JAK3JAK2SMN1; SMN2KLKB1
SCHEMBL13884225 0.69 CCR3 (0.65) ALDH1A1CCR3PRMT6CARM1PRMT3
SCHEMBL22340469 0.68 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2PKMCCR3PRMT6
SCHEMBL23014031 0.68 DRD2 (0.44) ALDH1A1PKMCCR3KLKB1KLK1

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-3033336-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2018-05-30 EP disclosed