SCHEMBL9046826

SCHEMBL9046826

O=c1[nH]c2ccccc2c(=O)n1CCCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.87
▸ HSD17B10 Q99714 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ OPRM1 P35372 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ OPRL1 P41146 1/20 0.51

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 0.93 ACHE (1.00) ACHEHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL9046728 0.82 ACHE (1.00) ACHEHSD17B10HPGDKDM4EMAPK1
SCHEMBL9044733 0.81 ACHE (0.77) ACHEHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL3954335 0.78 OPRM1 (0.73) ACHEALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL9044087 0.77 ACHE (0.71) ACHEHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL15613216 0.75 MPO (0.77) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30877025 0.75 HPGD (1.00) ACHEHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL6982894 0.75 HPGD (1.00) ACHEHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL3107807 0.75 CCR3 (0.71) ACHEALDH1A1
SCHEMBL13904311 0.74 ACHE (0.61) ACHEHSD17B10ALDH1A1HPGDKDM4E

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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