SCHEMBL31459802

SCHEMBL31459802

N#CC1(c2ccc(F)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
OPRM1 P35372 2/20 0.36
STING1 Q86WV6 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
NPC1 O15118 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
AR P10275 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL20315404 1.00 HDAC6 (0.36) HDAC6HDAC3HDAC1HDAC2OPRM1
SCHEMBL1072002 0.93 SLC6A4 (0.36) HDAC6HDAC3HDAC1HDAC2OPRM1
SCHEMBL18742631 0.93 SLC6A4 (0.36) HDAC6HDAC3HDAC1HDAC2OPRM1
SCHEMBL1021621 0.92 PSEN1 (0.37) HDAC6HDAC3HDAC1HDAC2OPRM1
SCHEMBL31441149 0.92 PSEN1 (0.37) HDAC6HDAC3HDAC1HDAC2OPRM1
SCHEMBL31459463 0.86 OPRM1 (0.39) HDAC6OPRM1SLC6A4SLC6A3ESR1
SCHEMBL28672682 0.83 BACE1 (0.40) HDAC6HDAC3HDAC1HDAC2ESR1
SCHEMBL838201 0.81 SLC6A4 (0.45) OPRM1SLC6A4SLC6A3
SCHEMBL29457607 0.81 SLC6A4 (0.45) OPRM1SLC6A4SLC6A3
SCHEMBL18742587 0.79 SLC6A4 (0.39) HDAC6OPRM1SLC6A4SLC6A3ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096660-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096654-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096662-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096658-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096653-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
WO-2025096657-A1 COMPOSITIONS AND INHIBITORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed