SCHEMBL6893766

SCHEMBL6893766

Cc1cccc(C2(C#N)C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.42
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.33
EPHX2 P34913 1/20 0.33
ACHE P22303 1/20 0.33
CCR2 P41597 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
SCHEMBL21002203 0.81 KMT2A (0.49) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30791158 0.81 KMT2A (0.49) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL6891948 0.81 HSD11B1 (0.42) HSD11B1HCAR2SMN1; SMN2
SCHEMBL6680140 0.80 HSD11B1 (0.46) HSD11B1SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6895186 0.80 HSD11B1 (0.45) HSD11B1
SCHEMBL6898977 0.76 CHRNA1 (0.43) HSD11B1HTR2CHTR2ACHRNA1CHRNG
SCHEMBL6685193 0.72 HTR2C (0.46) HSD11B1HTR2CHTR2ACHRNA1CHRNG
Hydrochloric Acid SCHEMBL6896770 0.71 HTR2C (0.48) HSD11B1HTR2CHTR2ACHRNA1CHRNG
SCHEMBL3027798 0.70 HSD11B1 (0.50) HSD11B1MEN1KMT2A
SCHEMBL6895201 0.70 HSD11B1 (0.46) HSD11B1MEN1KMT2AEPHX2LMNA

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-1143964-B1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RES LTD (GB) 2004-03-24 EP disclosed
EP-1051392-B1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RES LTD (GB) 2003-12-17 EP disclosed
US-6531511-B1 N-methyl aspartate receptor antagonist VERNALIS RESEARCH LIMITED (GB) 2003-03-11 US disclosed
EP-1143964-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2001-10-17 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-2000044371-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-08-03 WO disclosed
WO-1999038841-A1 ADAMANTANECARBOXIMIDAMIDE DERIVATIVES AND THEIR USE AS NMDA ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 1999-08-05 WO disclosed