SCHEMBL8815939

SCHEMBL8815939

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.41
P2RX2 Q9UBL9 13/20 0.41
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PRSS3 P35030 1/20 0.37
CSF1R P07333 1/20 0.36
CHEK2 O96017 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 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
Hydrochloric Acid SCHEMBL8817938 0.86 P2RX3 (0.38) P2RX3P2RX2F10PRSS1PRSS2
SCHEMBL8819588 0.84 P2RX3 (0.41) P2RX3P2RX2CSF1RWNT1GSK3B
SCHEMBL8815946 0.83 P2RX3 (0.39) P2RX3P2RX2F10F2PRSS1
Hydrochloric Acid SCHEMBL8817549 0.79 CHRM3 (0.40) P2RX3P2RX2
Hydrochloric Acid SCHEMBL8441328 0.79 KMT2A (0.46)
Hydrochloric Acid SCHEMBL27362607 0.79 HRH4 (0.38)
Hydrochloric Acid SCHEMBL8815942 0.77 CHEK1 (0.39)
Hydrochloric Acid SCHEMBL8819669 0.76 CHEK1 (0.40)
Hydrochloric Acid SCHEMBL8815918 0.75 KDM4E (0.40)
Hydrochloric Acid SCHEMBL8817535 0.74 CHEK1 (0.36) P2RX3P2RX2F10PRSS1

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