SCHEMBL11195099

SCHEMBL11195099

O=C(NCCN1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.57
▸ CD274 Q9NZQ7 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ EPHX2 P34913 2/20 0.53
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ BCL3 P20749 1/20 0.51
▸ HPGDS O60760 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MCHR2 Q969V1 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
SCHEMBL11090914 0.84 CD274 (0.62) CD274HPGDALDH1A1EPHX2CYP1A2
SCHEMBL7230736 0.77 L3MBTL1 (0.63) EGFRCD274HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL11286050 0.76 HPGDS (0.51) CD274HPGDALDH1A1MAPTEPHX2
SCHEMBL7284691 0.76 GLA (0.51) EGFRMCHR2MCHR1
SCHEMBL7240543 0.76 GLA (0.61) EGFRCD274HPGDALDH1A1CYP1A2
SCHEMBL8549799 0.75 HTR1A (0.53) EGFRMAPTCYP1A2CYP2D6CYP2C19
SCHEMBL487964 0.75 CD274 (0.84) CD274HPGDALDH1A1EPHX2CYP1A2
SCHEMBL11090305 0.75 ALDH1A1 (0.48) EGFRHPGDALDH1A1MAPTEPHX2
SCHEMBL1478626 0.74 SMN1; SMN2 (0.61) EGFRALDH1A1MAPTPKMCYP2D6
SCHEMBL12894562 0.74 FAAH (0.61) ALDH1A1LMNAPKMMEN1KMT2A

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
EP-0071433-A1 Medicine for the treatment of diabetes KOWA COMPANY, LTD. (JP) 1983-02-09 — — EP disclosed
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