SCHEMBL31124206

SCHEMBL31124206

O=CCCN1CC[C@H](F)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
SIGMAR1 Q99720 1/20 0.31
HTR7 P34969 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
SCHEMBL30560776 1.00 L3MBTL1 (0.32) L3MBTL1HRH3SIGMAR1HTR7
SCHEMBL31124238 1.00 L3MBTL1 (0.32) L3MBTL1HRH3SIGMAR1HTR7
SCHEMBL31124157 0.90 SLC6A1 (0.35) HRH3
SCHEMBL2560134 0.82 HRH2 (0.38) HRH3SIGMAR1
SCHEMBL2385027 0.79 GNAI3 (0.43) L3MBTL1HRH3
SCHEMBL3928132 0.79 GNAI3 (0.43) L3MBTL1HRH3
SCHEMBL25188572 0.78
SCHEMBL6277605 0.78
SCHEMBL2553857 0.78 PDCD1 (0.40) HRH3
SCHEMBL31124137 0.78 CARM1 (0.38) HRH3SIGMAR1

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
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO claimed
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO disclosed