SCHEMBL31198736

SCHEMBL31198736

Fc1ccc(C2=CNCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
CYP2A6 P11509 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
BTK Q06187 1/20 0.36
MAPT P10636 3/20 0.35
CYP11B2 P19099 1/20 0.33
JAK2 O60674 1/20 0.32
RET P07949 1/20 0.32
KDR P35968 1/20 0.32
GSK3A P49840 1/20 0.32
RPS6KA3 P51812 1/20 0.32
LIMK1 P53667 1/20 0.32
MAP2K1 Q02750 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
SCHEMBL31198986 0.77 BTK (0.43) BTKCYP11B2
SCHEMBL19529124 0.71 CYP3A4 (0.40) CYP3A4BTKMAPT
Hydrochloric Acid SCHEMBL30305371 0.69 HTR2C (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL20744293 0.69 HTR2C (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL26104326 0.69 CYP2A6 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13673800 0.66 NPC1 (0.37) MAPTMAPK14
SCHEMBL5939558 0.65 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5939570 0.65 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5939563 0.65 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL30612371 0.64 CYP2A6 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676922-A1 BIFUNCTIONAL COMPOUNDS CAPABLE OF DEGRADING ANDROGEN RECEPTORS Astrazeneca AB (SE) 2026-01-14 EP disclosed
WO-2024189488-A1 BIFUNCTIONAL COMPOUNDS CAPABLE OF DEGRADING ANDROGEN RECEPTORS ASTRAZENECA AB (SE) 2024-09-19 WO disclosed