SCHEMBL29418481

SCHEMBL29418481

CNCc1ccc(Br)cc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.46
HTR2A P28223 10/20 0.46
KCNH2 Q12809 9/20 0.46
PYCR1 P32322 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8164579 1.00 SLC6A4 (0.46) SLC6A4HTR2AKCNH2PYCR1HRH3
SCHEMBL31163135 0.83 SLC6A4 (0.46) SLC6A4HTR2AKCNH2HRH3CHRNB2
SCHEMBL6911962 0.83 SLC6A4 (0.46) SLC6A4HTR2AKCNH2HRH3CHRNB2
SCHEMBL28879829 0.81 SLC6A4 (0.47) SLC6A4HTR2AKCNH2PYCR1HRH3
SCHEMBL8169154 0.80 CHRNA7 (0.53) HTR2APYCR1CHRNB2CHRNA7CHRNA4
SCHEMBL24270084 0.79 PYCR1 (0.41) SLC6A4HTR2AKCNH2PYCR1HRH3
SCHEMBL1872934 0.78 KDM4E (0.51) SLC6A4HTR2AKCNH2PYCR1SLC6A2
SCHEMBL4115232 0.78 SLC6A4 (0.45) SLC6A4HTR2AKCNH2HRH3CHRNB2
SCHEMBL18839297 0.78 KDM1A (0.48) SLC6A4HTR2AKCNH2PYCR1HRH3
SCHEMBL18107706 0.78 SLC6A4 (0.45) SLC6A4HTR2AKCNH2HRH3CHRNB2

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
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 WO disclosed