SCHEMBL29201758

SCHEMBL29201758

O=C1CCN(c2cc(C(=O)N3CCN(CCC4CCN(C(=O)O)CC4)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ SPIN1 Q9Y657 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ HSD11B1 P28845 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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 0.95 HTT (0.39) HTTDRD2DRD3LIPGADRB2
SCHEMBL27152786 0.94 HTT (0.39) HTTDRD2DRD3LIPGADRB2
SCHEMBL28783591 0.91 CCR3 (0.38) HTTADRB2HSD11B1MGLL
SCHEMBL29277059 0.91 HSD11B1 (0.39) HSD11B1MGLL
SCHEMBL31677216 0.90 HTT (0.39) HTTSPIN1SMYD3HSD11B1MGLL
SCHEMBL27146833 0.89 MGLL (0.38) HTTDRD2DRD3LIPGADRB2
SCHEMBL28978059 0.87 HPGD (0.44) HSD11B1MGLL
SCHEMBL27143092 0.86 MGLL (0.42) LIPGHSD11B1MGLL
SCHEMBL29201746 0.86 MGLL (0.39) HSD11B1MGLL
SCHEMBL28868792 0.86 HSD11B1 (0.40) LIPGHSD11B1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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