SCHEMBL11806115

SCHEMBL11806115

O=C1c2cccc3cccc(c23)C(=O)N1CCCCN1CCC(O)(CCCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ DRD2 P14416 4/20 0.51
▸ HTR7 P34969 4/20 0.51
▸ HTR1A P08908 3/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ HTR6 P50406 3/20 0.51
▸ DRD3 P35462 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ HEXA P06865 1/20 0.47

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
SCHEMBL11813960 0.95 KDM4E (0.57) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11811501 0.91 MEN1 (0.50) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11811153 0.88 DRD2 (0.53) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11810045 0.86 KDM4E (0.59) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11838114 0.82 KDM4E (0.67) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11630376 0.81 DRD2 (0.55) KDM4EALDH1A1GAAMAPTDRD2
SCHEMBL11631967 0.81 L3MBTL1 (0.48) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11841247 0.81 KDM4E (0.68) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11807499 0.81 DRD2 (0.57) KDM4EALDH1A1DRD2HTR7HTR1A
SCHEMBL11804225 0.81 DRD2 (0.57) KDM4EALDH1A1DRD2HTR7HTR1A

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
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 — — US disclosed
Send feedback