SCHEMBL31071982

SCHEMBL31071982

OC1CCC(c2ccc(F)cc2Br)OC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL21767418 1.00 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL20225795 0.81 KDM1A (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL20225866 0.81 KDM1A (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL1345745 0.78 ATM (0.37)
SCHEMBL21780609 0.76 PDE1C (0.34)
SCHEMBL21767379 0.76 BACE1 (0.31)
SCHEMBL31072020 0.76 BACE1 (0.31)
SCHEMBL21767697 0.73 P2RX7 (0.32)
SCHEMBL22650287 0.73 OPRL1 (0.32)
SCHEMBL21767543 0.73 BACE1 (0.33)

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-118878533-A Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-11-01 CN disclosed
CN-112805001-B Inhibition of αvβ6 integrin 莫菲克医疗股份有限公司 2024-07-23 CN disclosed