SCHEMBL31322271

SCHEMBL31322271

CN1CCNCC[C@@H]1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.62
CHRNA7 P36544 4/20 0.62
CHRNA4 P43681 4/20 0.62
CHRNB4 P30926 3/20 0.62
CHRNA3 P32297 3/20 0.62
SIGMAR1 Q99720 2/20 0.50
SLC18A3 Q16572 1/20 0.50
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.41
CHRNA2 Q15822 2/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSIP1 O75475 1/20 0.41

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
SCHEMBL31322217 1.00 CHRNB2 (0.62) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL470846 0.84 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL1579434 0.84 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL18913839 0.84 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL3976295 0.84 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL27673502 0.82 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1722775 0.82 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL4294175 0.81 CHRNB2 (0.77) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL1945712 0.77 SIGMAR1 (0.48) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL15836592 0.77 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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-2025038930-A1 AZEPANE AND PYRROLIDINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed