SCHEMBL9046728

SCHEMBL9046728

O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 1.00
▸ CHRM1 P11229 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ HTT P42858 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL9046220 0.88 ACHE (1.00) ACHEKDM4EHPGDHSD17B10
SCHEMBL9044733 0.82 ACHE (0.77) ACHEKDM4EHPGDHSD17B10HTT
SCHEMBL9046826 0.82 ACHE (0.87) ACHEKDM4EHPGDHSD17B10MAPK1
SCHEMBL24031218 0.78 ACHE (0.64) ACHEKDM4EHPGDGAAHSD17B10
SCHEMBL9411276 0.74 ACHE (0.58) ACHEKDM4EGAAHSD17B10HTT
SCHEMBL9259946 0.73 ACHE (0.58) ACHE
SCHEMBL9631092 0.73 CA9 (0.59) ACHEKDM4EHPGDGAATSHR
SCHEMBL17241716 0.73 CA9 (0.59) ACHEKDM4EHPGDHTTRXFP1
SCHEMBL6161133 0.73 CHRM1 (0.92) CHRM1USP2MAPK1
SCHEMBL9044087 0.72 ACHE (0.71) ACHEKDM4EHPGDHSD17B10TSHR

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-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 — — EP claimed
EP-0742216-A2 Cyclic amide derivatives Eisai Co., Ltd. (JP) 1996-11-13 — — EP disclosed
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