SCHEMBL30795121

SCHEMBL30795121

O=C(NC12CC3CC(C1)CC(C(=O)Nc1cccc(Cl)c1)(C3)C2)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
FPR2 P25090 1/20 0.49
GRM5 P41594 1/20 0.49
FAAH O00519 3/20 0.48
P2RX7 Q99572 1/20 0.47
HSD11B1 P28845 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
EPHX2 P34913 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CNR2 P34972 1/20 0.45
ATM Q13315 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
SCHEMBL2225494 1.00 IDO1 (0.50) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL1578574 0.85 FAAH (0.60) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL3377748 0.84 FAAH (0.52) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL2270219 0.84 GRM5 (0.54) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL30794592 0.84 GRM5 (0.54) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL2221951 0.83 GRM5 (0.73) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL30794648 0.83 GRM5 (0.73) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL16244075 0.83 FAAH (0.55) IDO1FPR2GRM5FAAHP2RX7
SCHEMBL12218396 0.80 SMN1; SMN2 (0.65) P2RX7SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2269402 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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