SCHEMBL31250394

SCHEMBL31250394

COc1c(F)cncc1C1CNC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CHRNB2 P17787 6/20 0.38
▸ CHRNA4 P43681 6/20 0.38
▸ CHRNB4 P30926 5/20 0.38
▸ CHRNA3 P32297 5/20 0.38
▸ ALOX5AP P20292 3/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ CYP11B2 P19099 2/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CYP11B1 P15538 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30

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
SCHEMBL25308469 1.00 HTR2A (0.38) HTR2AHTR2CCHRNB2CHRNA4CHRNB4
SCHEMBL25306413 0.83 CHRNB2 (0.37) HTR2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31250383 0.83 CHRNB2 (0.37) HTR2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24952758 0.73 PDGFRB (0.38) CYP11B2CYP11B1
SCHEMBL25308429 0.69 CCNT1 (0.38) HTR2AHTR2CCHRNB2CHRNA4CHRNB4
SCHEMBL31250389 0.68 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25306684 0.68 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31654140 0.68 HTR2C (0.46) HTR2AHTR2CCHRNB2CHRNA4CHRNB4
SCHEMBL25305763 0.68 HTR2A (0.39) HTR2AHTR2CCHRNB2CHRNA4CHRNB4
SCHEMBL31581935 0.68 HTR2C (0.46) HTR2AHTR2CCHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118804917-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-10-18 — — CN disclosed
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