SCHEMBL30217022

SCHEMBL30217022

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 1/20 0.42
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 1/20 0.37
WDR5 P61964 4/20 0.34
LRRK2 Q5S007 2/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 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
SCHEMBL29237427 1.00 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27361622 0.87 KMT2A (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL31507302 0.87 KMT2A (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL30967820 0.82 KMT2A (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL29237665 0.82 KMT2A (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL29841501 0.81 KMT2A (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL30520809 0.81 KMT2A (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27361970 0.81 KMT2A (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL22832485 0.80 KMT2A (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3206919 0.80 KMT2A (0.45) KMT2AWDR5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 WO disclosed