SCHEMBL30717671

SCHEMBL30717671

O=C(CC1CCCC1)N1CCc2nc(Br)sc2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.52
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
UCHL1 P09936 2/20 0.37
MAPK14 Q16539 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PARK7 Q99497 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL30717628 0.80 GRM5 (0.46) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL31748855 0.80 ADORA2A (0.47) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717359 0.79 GRM5 (0.45) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717448 0.79 ADORA2A (0.45) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717555 0.78 GRM5 (0.44) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717403 0.78 GRM5 (0.44) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717326 0.78 GRM5 (0.44) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717361 0.78 ADORA2A (0.45) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717497 0.76 GRM5 (0.45) GRM5ADORA2AADORA1RAB9ANPC1
SCHEMBL30717447 0.76 GRM5 (0.43) GRM5ADORA2AADORA1RAB9ANPC1

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-4572762-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP disclosed
WO-2024038128-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO disclosed