SCHEMBL30967779

SCHEMBL30967779

COC(=O)C1CC(c2cccc(Br)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC4 P56524 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KDM1A O60341 3/20 0.42
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RCOR1 Q9UKL0 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18640463 1.00 SLC6A4 (0.51) SLC6A4SLC6A3TSHRNPSR1HDAC4
SCHEMBL22945326 0.89 SLC6A4 (0.43) SLC6A4SLC6A3TSHRNPSR1HDAC4
SCHEMBL23380763 0.83 SLC6A4 (0.45) SLC6A4SLC6A3TSHRNPSR1HDAC4
SCHEMBL21512715 0.82 GRIN2B (0.42) SLC6A3
SCHEMBL21512714 0.82 OPRK1 (0.43) HDAC4ALDH1A1LMNADRD4KMT2A
SCHEMBL29969542 0.82 OPRK1 (0.43) HDAC4ALDH1A1LMNADRD4KMT2A
SCHEMBL29969842 0.82 GRIN2B (0.42) SLC6A3
SCHEMBL18640459 0.82 POLB (0.40) SLC6A4SLC6A3TSHRALDH1A1POLB
SCHEMBL30015707 0.81 KDM1A (0.51) TSHRNPSR1HDAC4KDM1ARCOR1
SCHEMBL15192136 0.81 SLC6A3 (0.48) SLC6A4SLC6A3TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed