SCHEMBL11065622

SCHEMBL11065622

CCCCN1CCc2ncc(N)nc2CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
GRM5 P41594 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC2A1 P11166 2/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL11072566 0.91 LMNA (0.45) LMNAMAPTTP53DRD2DRD3
SCHEMBL3761749 0.84 CYP3A4 (0.53) LMNAMAPTTP53DRD2CYP3A4
Hydrochloric Acid SCHEMBL11075152 0.83 LMNA (0.54) LMNAMAPTTP53DRD2CYP3A4
Hydrochloric Acid SCHEMBL11068467 0.83 LMNA (0.54) LMNAMAPTTP53DRD2CYP3A4
Hydrochloric Acid SCHEMBL11078497 0.81 LMNA (0.48) LMNAMAPTTP53DRD2DRD3
Hydrochloric Acid SCHEMBL11072427 0.81 LMNA (0.45) LMNAMAPTTP53DRD2DRD3
SCHEMBL11076421 0.79 HRH4 (0.42) DRD2
SCHEMBL11093911 0.78 RAD52 (0.49) LMNAMAPTDRD2GRM5CYP3A4
Hydrochloric Acid SCHEMBL11068298 0.78 SIGMAR1 (0.53) LMNABLMPMP22
Hydrochloric Acid SCHEMBL11074583 0.77 HRH4 (0.41) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 US disclosed
EP-0047412-A1 Pyrazines, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1982-03-17 EP disclosed