SCHEMBL30794892

SCHEMBL30794892

O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3F)co2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.57
CLPP Q16740 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.44
HSD11B1 P28845 1/20 0.44
PROKR1 Q8TCW9 1/20 0.43

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
SCHEMBL3585711 1.00 GRM5 (0.57) GRM5CLPPMEN1KMT2AATM
SCHEMBL3585701 1.00 GRM5 (0.57) GRM5CLPPMEN1KMT2AATM
SCHEMBL30794762 0.91 GRM5 (0.58) GRM5CLPPMEN1KMT2AATM
SCHEMBL3584320 0.91 GRM5 (0.58) GRM5CLPPMEN1KMT2AATM
SCHEMBL3584326 0.91 GRM5 (0.58) GRM5CLPPMEN1KMT2AATM
SCHEMBL3575099 0.91 MEN1 (0.47) GRM5CLPPMEN1KMT2AATM
SCHEMBL3575094 0.91 MEN1 (0.47) GRM5CLPPMEN1KMT2AATM
SCHEMBL30794419 0.91 MEN1 (0.47) GRM5CLPPMEN1KMT2AATM
SCHEMBL3597100 0.90 MEN1 (0.48) GRM5CLPPMEN1KMT2AATM
SCHEMBL3597096 0.90 MEN1 (0.48) GRM5CLPPMEN1KMT2AATM

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