SCHEMBL28811665

SCHEMBL28811665

C(#CCc1ccccc1)CCCCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.48
MAOA P21397 1/20 0.47
NAAA Q02083 3/20 0.46
MIF P14174 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAOB P27338 1/20 0.45
GRM5 P41594 1/20 0.45

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
SCHEMBL28175144 0.92 GRM5 (0.51) SIGMAR1MAOAMIFMAOBGRM5
SCHEMBL25365668 0.86 GSK3A (0.42) SIGMAR1MAOANAAAMAPTRXFP1
SCHEMBL5700795 0.83 FFAR1 (0.49) MAOAMIFMAOBGRM5
SCHEMBL28437803 0.82 KCNH2 (0.59)
SCHEMBL10892181 0.82 SIGMAR1 (0.47) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL10894556 0.82 SIGMAR1 (0.47) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL28585298 0.80 FFAR1 (0.51) SIGMAR1MAOAMAOBGRM5
SCHEMBL10892521 0.80 MAOA (0.47) SIGMAR1MAOANAAAMIFMAOB
SCHEMBL10895799 0.80 SIGMAR1 (0.48) SIGMAR1MAOANAAAMIFMAPT
SCHEMBL6014561 0.80 MAOA (0.52) SIGMAR1MAOANAAAMIFMAPT

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
CN-114854415-B Rare earth optical probe and preparation method and application thereof 北京大学深圳医院 2023-10-03 CN disclosed
CN-114854415-A Rare earth optical probe and preparation method and application thereof 北京大学深圳医院 2022-08-05 CN disclosed