SCHEMBL8645397

SCHEMBL8645397

CCCCN/C(N)=N/c1nc(-c2cccc(CNC(C)=O)c2)cs1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.50
HRH4 Q9H3N8 3/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ATP4A P20648 9/20 0.49
ATP4B P51164 9/20 0.49
PRMT6 Q96LA8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL8645400 1.00 HRH2 (0.50) HRH2HRH4DRD2DRD3HRH3
SCHEMBL8651841 0.90 ATP4A (0.51) HRH2HRH4DRD2DRD3HRH3
SCHEMBL8651839 0.90 ATP4A (0.51) HRH2HRH4DRD2DRD3HRH3
SCHEMBL8645429 0.90 ATP4A (0.53) HRH2HRH4DRD2DRD3HRH3
SCHEMBL8645433 0.90 ATP4A (0.53) HRH2HRH4DRD2DRD3HRH3
SCHEMBL8647612 0.90 ATP4A (0.47) HRH2HRH4DRD2DRD3HRH3
SCHEMBL8647609 0.90 ATP4A (0.47) HRH2HRH4DRD2DRD3HRH3
SCHEMBL9092260 0.89 HRH2 (0.55) HRH2HRH4ATP4AATP4BPRMT6
SCHEMBL9093209 0.88 ATP4A (0.47) HRH2HRH4DRD2DRD3HRH3
SCHEMBL8659301 0.88 ATP4A (0.56) HRH2HRH4DRD2DRD3HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545376-A1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP claimed
EP-0545376-B1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 EP disclosed
US-5532258-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
EP-0545376-A1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed