SCHEMBL29201711

SCHEMBL29201711

O=C1CCN(c2cc(C(=O)N3CCC(CCCN4CCN(C(=O)O)CC4)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 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
SCHEMBL27152786 0.97 HTT (0.39) HTTDRD2DRD3HTR2AMEN1
SCHEMBL29201758 0.95 HTT (0.40) HTTDRD2DRD3LIPGSMYD3
SCHEMBL29277059 0.93 HSD11B1 (0.39) MGLLHDAC3HDAC4HDAC1HDAC7
SCHEMBL30931910 0.91 HRH3 (0.44) HTTDRD2DRD3MEN1KMT2A
SCHEMBL31677169 0.90 HRH3 (0.38) HTTDRD2DRD3HRH3LIPG
SCHEMBL28783591 0.89 CCR3 (0.38) HTTMEN1KMT2AHRH3ADRB2
SCHEMBL31677220 0.89 MEN1 (0.41) DRD2DRD3MEN1KMT2A
SCHEMBL27146833 0.89 MGLL (0.38) HTTDRD2DRD3MEN1KMT2A
SCHEMBL31024371 0.88 GPR119 (0.43) DRD2DRD3MEN1KMT2A
SCHEMBL27123897 0.88 GPR119 (0.43) DRD2DRD3MEN1KMT2A

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
CN-117917410-A Pan-KRAS degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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