SCHEMBL29931204

SCHEMBL29931204

COC(=O)c1ccc(N2CCC(C3OCCO3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.54
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ SMO Q99835 1/20 0.37
▸ TGM2 P21980 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL23460117 1.00 HRH3 (0.54) HRH3MAPK1RAB9AALDH1A1MAPT
SCHEMBL23459580 0.85 NR1H4 (0.40) HRH3RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL26139478 0.81 ALDH1A1 (0.55) RAB9AALDH1A1MAPTSMN1; SMN2GPR119
SCHEMBL17100267 0.81 MAPT (0.54) HRH3MAPK1RAB9AALDH1A1MAPT
SCHEMBL22629266 0.80 HRH3 (0.58) HRH3MAPK1RAB9AMAPTNPC1
SCHEMBL24421142 0.80 HRH3 (0.58) HRH3MAPK1MAPTGPR119TGM2
SCHEMBL30680858 0.80 HRH3 (0.58) HRH3MAPK1MAPTGPR119TGM2
SCHEMBL31752976 0.79 HRH3 (0.57) HRH3MAPK1RAB9AALDH1A1MAPT
SCHEMBL31722347 0.78 HRH3 (0.59) HRH3MAPK1RAB9AALDH1A1MAPT
SCHEMBL14875984 0.78 HRH3 (0.57) HRH3MAPK1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 — — CN disclosed
WO-2023088477-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE 杭州和正医药有限公司 2023-05-25 — — WO disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 — — CN disclosed
CN-115003304-A Bifunctional compounds for the degradation of BTK via the ubiquitin proteasome pathway 纽力克斯治疗公司 2022-09-02 — — CN disclosed
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