SCHEMBL31459632

SCHEMBL31459632

Cc1ccc(Cl)cc1C1(C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
OPRM1 P35372 3/20 0.41
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM1A O60341 2/20 0.33
NOTUM Q6P988 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAP4K4 O95819 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL15822780 0.79 WDR5 (0.36) OPRM1ADRA1DADRA1AADRA1BKDM1A
SCHEMBL31459053 0.79 HDAC4 (0.44) OPRM1ADRA1DADRA1AADRA1BKDM1A
SCHEMBL31454435 0.79 OPRM1 (0.38) OPRM1KDM1AMAP4K4
SCHEMBL838201 0.78 SLC6A4 (0.45) CYP3A4OPRM1SLC6A4SLC6A3
SCHEMBL29457607 0.78 SLC6A4 (0.45) CYP3A4OPRM1SLC6A4SLC6A3
SCHEMBL11825725 0.77 MEN1 (0.46)
SCHEMBL28691096 0.76 OPRM1 (0.39) OPRM1KDM1AMAP4K4SLC6A4SLC6A3
SCHEMBL31459362 0.76 KMT2A (0.44)
SCHEMBL15861905 0.75 SLC6A4 (0.40) OPRM1KDM1AMAP4K4SLC6A4SLC6A3
SCHEMBL31454423 0.75 OPRM1 (0.38) OPRM1KDM1AMAP4K4SLC6A4SLC6A3

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