SCHEMBL8815946

SCHEMBL8815946

CN1CCC(Oc2cc(C(=O)N=C(N)N)cc(-c3cc(Cl)sc3Cl)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.39
P2RX2 Q9UBL9 10/20 0.39
CHEK2 O96017 2/20 0.36
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PRSS3 P35030 1/20 0.33
OPRK1 P41145 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
Hydrochloric Acid SCHEMBL8817942 0.85 P2RX3 (0.36) P2RX3P2RX2CHEK2
SCHEMBL8819588 0.84 P2RX3 (0.41) P2RX3P2RX2SCN1ASCN2ASCN3A
SCHEMBL8815939 0.83 P2RX3 (0.41) P2RX3P2RX2CHEK2F2F10
Hydrochloric Acid SCHEMBL8441332 0.76 KMT2A (0.42) CHEK2
Hydrochloric Acid SCHEMBL8817541 0.73 CHEK1 (0.36)
Hydrochloric Acid SCHEMBL8817987 0.72 CHEK1 (0.34)
Hydrochloric Acid SCHEMBL8817967 0.71 THRB (0.34) CHEK2F2
SCHEMBL8817548 0.71 P2RX3 (0.45) P2RX3P2RX2CHEK2
SCHEMBL8818005 0.69 ADRB2 (0.41) OPRK1
Hydrochloric Acid SCHEMBL8817938 0.69 P2RX3 (0.38) P2RX3P2RX2CHEK2F10PRSS1

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-1997027183-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 WO claimed