SCHEMBL31728047

SCHEMBL31728047

O=[N+]([O-])c1ccc(OC2CC3(CCNCC3)C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
RAB9A P51151 1/20 0.36
MGLL Q99685 2/20 0.36
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 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
SCHEMBL25262091 0.83 HRH1 (0.45) MAPTRAB9ACHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL30978674 0.80 MAPT (0.44) MAPTRAB9ACHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL27042621 0.80 MAPT (0.44) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL23087382 0.78 MAPT (0.47) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL31727158 0.77 MAPT (0.39) MAPTRAB9ACHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL30328348 0.76 CHRNB2 (0.42) MGLLCHRNB2CHRNA4
SCHEMBL28687611 0.76 CHRNB2 (0.53) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28687610 0.76 CHRNB2 (0.53) MAPTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31403570 0.76 MAPT (0.45) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL10255974 0.76 MAPT (0.45) MAPTRAB9ACHRNB2CHRNA4CHRNB4

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
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed