SCHEMBL29277059

SCHEMBL29277059

O=C1CCN(c2cc(C(=O)N3CCC(CCCC4CCN(C(=O)O)CC4)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.39
▸ MGLL Q99685 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ CCR3 P51677 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR1A P08908 1/20 0.37

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
SCHEMBL29201711 0.93 HTT (0.39) HSD11B1MGLLHDAC3HDAC4HDAC1
SCHEMBL27152786 0.92 HTT (0.39) HSD11B1MGLLHDAC3HDAC4HDAC1
SCHEMBL27125679 0.91 ITGB3 (0.38) HSD11B1MGLLCCR3TSHRNPSR1
SCHEMBL30014221 0.91 ITGB3 (0.38) HSD11B1MGLLCCR3TSHRNPSR1
SCHEMBL27147744 0.91 NAMPT (0.36) HSD11B1MGLLHDAC3HDAC4HDAC1
SCHEMBL29201758 0.91 HTT (0.40) HSD11B1MGLL
SCHEMBL27139369 0.91 FFAR4 (0.40) HSD11B1MGLLHDAC3HDAC4HDAC1
SCHEMBL27143092 0.90 MGLL (0.42) HSD11B1MGLLCCR3TSHRNPSR1
SCHEMBL29201746 0.89 MGLL (0.39) HSD11B1MGLLCCR3TSHRNPSR1
SCHEMBL28868792 0.89 HSD11B1 (0.40) HSD11B1MGLLCCR3TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232114-B SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2023-12-19 — — CN disclosed
WO-2022223034-A1 SOS1 DEGRADATION AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 — — WO disclosed
CN-115232114-A SOS1 degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2022-10-25 — — CN disclosed
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