SCHEMBL6935617

SCHEMBL6935617

Cc1ccc(C2(C(=N)N)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 1/20 0.33

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 SCHEMBL6935844 0.98 HSD11B1 (0.47) HSD11B1MAOBMAOAKMT2AMEN1
SCHEMBL6933800 0.83 HSD11B1 (0.48) HSD11B1MAOBMAOAKMT2AMEN1
SCHEMBL6933292 0.83 HSD11B1 (0.64) HSD11B1MAOBMAOAKMT2AMEN1
SCHEMBL6934361 0.83 HSD11B1 (0.51) HSD11B1MAOBMAOAIDO1
Hydrochloric Acid SCHEMBL6934108 0.82 HSD11B1 (0.62) HSD11B1MAOBMAOAKMT2AMEN1
Hydrochloric Acid SCHEMBL6931734 0.82 HSD11B1 (0.47) HSD11B1MAOBMAOAKMT2AMEN1
Hydrochloric Acid SCHEMBL6930671 0.81 HSD11B1 (0.50) HSD11B1MAOBMAOAIDO1
Hydrochloric Acid SCHEMBL6934739 0.81 HSD11B1 (0.45) HSD11B1MAOBKMT2A
Hydrochloric Acid SCHEMBL6935834 0.80 HTR2C (0.40) HSD11B1KMT2AMEN1RAB9ASLC6A2
SCHEMBL6933296 0.74 SIGMAR1 (0.37) HSD11B1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051392-B1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RES LTD (GB) 2003-12-17 EP claimed
US-6262106-B1 Adamantanecarboximidamide derivatives and their use as NMDA antagonists VERNALIS RESEARCH LIMITED (GB) 2001-07-17 US claimed
EP-1051392-A1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2000-11-15 EP claimed
WO-1999038841-A1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 1999-08-05 WO claimed
EP-1051392-B1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RES LTD (GB) 2003-12-17 EP disclosed
US-6262106-B1 Adamantanecarboximidamide derivatives and their use as NMDA antagonists VERNALIS RESEARCH LIMITED (GB) 2001-07-17 US disclosed
EP-1051392-A1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2000-11-15 EP disclosed
WO-1999038841-A1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 1999-08-05 WO disclosed