SCHEMBL6933292

SCHEMBL6933292

N=C(N)C1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.64
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR1I2 O75469 1/20 0.41
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38

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 SCHEMBL6934108 0.98 HSD11B1 (0.62) HSD11B1MEN1KMT2ANR1I2MAOB
SCHEMBL6933800 0.83 HSD11B1 (0.48) HSD11B1MEN1KMT2AMAOBMAOA
SCHEMBL6935617 0.83 HSD11B1 (0.48) HSD11B1MEN1KMT2AMAOBMAOA
Hydrochloric Acid SCHEMBL6931734 0.82 HSD11B1 (0.47) HSD11B1MEN1KMT2AMAOBMAOA
Hydrochloric Acid SCHEMBL6935844 0.82 HSD11B1 (0.47) HSD11B1MEN1KMT2AMAOBMAOA
Hydrochloric Acid SCHEMBL6934739 0.81 HSD11B1 (0.45) HSD11B1KMT2AMAOB
SCHEMBL6934361 0.80 HSD11B1 (0.51) HSD11B1MAOBMAOA
Hydrochloric Acid SCHEMBL6930671 0.78 HSD11B1 (0.50) HSD11B1MAOBMAOA
SCHEMBL3030606 0.78 HSD11B1 (1.00) HSD11B1MEN1KMT2ANR1I2
SCHEMBL3024025 0.73 HSD11B1 (0.59) HSD11B1MEN1KMT2ANR1I2

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