SCHEMBL27361622

SCHEMBL27361622

CC1(C)CC(C#N)(c2cccc(Br)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
BACE1 P56817 3/20 0.34
CTSD P07339 1/20 0.34
MGAT2 Q10469 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL31507302 1.00 KMT2A (0.38) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL29237427 0.87 CHRNA1 (0.42) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30217022 0.87 CHRNA1 (0.42) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL29237665 0.84 KMT2A (0.41) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30967820 0.84 KMT2A (0.41) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL29841501 0.83 KMT2A (0.35) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30520809 0.83 KMT2A (0.38) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL27361970 0.83 KMT2A (0.35) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL22832485 0.83 KMT2A (0.42) KMT2ACHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3206919 0.82 KMT2A (0.45) KMT2AOPRM1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573085-A1 SUBSTITUTED PYRIDINONE COMPOUNDS AS CBL-B INHIBITORS Glenmark Pharmaceuticals Limited (IN) 2025-06-25 EP disclosed
WO-2024062363-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS CBL-B INHIBITORS GLENMARK PHARMACEUTICALS LTD (IN) 2024-03-28 WO disclosed
WO-2024038378-A1 SUBSTITUTED PYRIDINONE COMPOUNDS AS CBL-B INHIBITORS GLENMARK PHARMACEUTICALS LTD (IN) 2024-02-22 WO disclosed
WO-2024038378-A1 SUBSTITUTED PYRIDINONE COMPOUNDS AS CBL-B INHIBITORS GLENMARK PHARMACEUTICALS LTD (IN) 2024-02-22 WO disclosed