SCHEMBL2278707

SCHEMBL2278707

O=C(NC12CC3CC(CC(NCc4ccccn4)(C3)C1)C2)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
GRM5 P41594 2/20 0.50
P2RX7 Q99572 1/20 0.50
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
AGTR1 P30556 1/20 0.48
OPRK1 P41145 1/20 0.48
RECQL P46063 1/20 0.48
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
GLMN Q92990 1/20 0.47
FPR2 P25090 1/20 0.46
PABPC1 P11940 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 2/20 0.44
EPHX2 P34913 3/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL2222459 0.90 KDM4E (0.53) ALDH1A1KDM4EGRM5RAB9AMAPT
SCHEMBL1578149 0.89 GRM5 (0.58) ALDH1A1KDM4EGRM5RAB9AMAPT
SCHEMBL1579128 0.84 GRM5 (0.54) ALDH1A1KDM4EGRM5RAB9AMAPT
SCHEMBL1578956 0.84 GRM5 (0.52) ALDH1A1KDM4EGRM5RAB9AMAPT
SCHEMBL1578303 0.83 FAAH (0.62) KDM4EGRM5RAB9AMAPTAGTR1
SCHEMBL1578460 0.82 GRM5 (0.54) ALDH1A1KDM4EGRM5RAB9AMAPT
SCHEMBL1578601 0.81 GRM5 (0.54) ALDH1A1KDM4EGRM5P2RX7RAB9A
SCHEMBL1578628 0.81 GRM5 (0.71) ALDH1A1KDM4EGRM5RAB9AMAPT
SCHEMBL2280375 0.81 GRM5 (0.52) ALDH1A1KDM4EGRM5RAB9AMAPT
SCHEMBL2638308 0.81 PABPC1 (0.65) ALDH1A1KDM4ERAB9AMAPTAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011087758-A1 ADAMANTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2011087758-A1 ADAMANTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 WO disclosed