SCHEMBL11069340

SCHEMBL11069340

c1ccc(CN2CCc3nccnc3CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
DRD4 P21917 1/20 0.55
MC4R P32245 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HSD11B1 P28845 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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 SCHEMBL11078532 0.98 SIGMAR1 (0.59) SIGMAR1DRD4MC4RALDH1A1TSHR
SCHEMBL1014048 0.82 MEN1 (0.58) DRD4MEN1NPC1RAB9AKMT2A
SCHEMBL30063704 0.80 SIGMAR1 (0.50) SIGMAR1DRD4MC4RALDH1A1MEN1
SCHEMBL30063685 0.79 SIGMAR1 (0.49) SIGMAR1DRD4MC4RALDH1A1MEN1
SCHEMBL7368142 0.79 MEN1 (0.51) SIGMAR1DRD4MC4RALDH1A1MEN1
SCHEMBL576868 0.77 SIGMAR1 (1.00) SIGMAR1DRD4MC4RKMT2ALMNA
SCHEMBL8188324 0.77 SIGMAR1 (1.00) SIGMAR1DRD4MC4RKMT2ALMNA
SCHEMBL242970 0.77 SIGMAR1 (1.00) SIGMAR1DRD4MC4RKMT2ALMNA
SCHEMBL2489199 0.77 SIGMAR1 (1.00) SIGMAR1DRD4MC4RKMT2ALMNA
SCHEMBL1415730 0.77 SIGMAR1 (1.00) SIGMAR1DRD4MC4RKMT2ALMNA

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