SCHEMBL31198952

SCHEMBL31198952

O=C(OCc1ccccc1)N1CCC(c2ccc(OCCCC3OCCO3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CHRM4 P08173 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ GRIN2B Q13224 6/20 0.46
▸ PDE4B Q07343 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CCR1 P32246 1/20 0.43

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
SCHEMBL31198832 0.94 PDE4B (0.52) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL17477287 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL7503285 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL14922380 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL14922734 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL4035554 0.81 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL8316392 0.80 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL30711534 0.80 CHRM4 (0.53) SMN1; SMN2NPC1RAB9ACHRM4S1PR1
SCHEMBL31198766 0.80 CHRM4 (0.53) SMN1; SMN2NPC1RAB9ACHRM4MEN1
SCHEMBL6749001 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACHRM4MEN1

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
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