SCHEMBL11810045

SCHEMBL11810045

O=C1c2cccc3cccc(c23)C(=O)N1CCCCN1CCC(O)(CCc2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ DRD2 P14416 8/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ HTR1A P08908 7/20 0.47
▸ HTR2A P28223 7/20 0.47
▸ HTR6 P50406 7/20 0.47
▸ HTR7 P34969 7/20 0.47
▸ HEXA P06865 2/20 0.46
▸ HEXB P07686 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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 0.91 KDM4E (0.57) KDM4ELMNAMAPK1ALDH1A1MAPT
SCHEMBL11806115 0.86 KDM4E (0.56) KDM4ELMNAMAPK1ALDH1A1MAPT
SCHEMBL11811501 0.85 MEN1 (0.50) KDM4ELMNAMAPK1ALDH1A1MAPT
SCHEMBL11634610 0.81 L3MBTL1 (0.45) KDM4ELMNAMAPK1ALDH1A1MAPT
SCHEMBL11811153 0.80 DRD2 (0.53) KDM4ELMNAMAPK1ALDH1A1MAPT
SCHEMBL11801471 0.80 KDM4E (0.61) KDM4ELMNAMAPK1ALDH1A1MAPT
SCHEMBL11812209 0.77 DRD2 (0.53) KDM4ELMNAMAPK1ALDH1A1HPGD
SCHEMBL11809762 0.77 HTR1A (0.54) KDM4ELMNAMAPK1MAPTMEN1
SCHEMBL11805180 0.76 KDM4E (0.56) KDM4ELMNAMAPK1ALDH1A1MAPT
SCHEMBL11630376 0.76 DRD2 (0.55) KDM4ELMNAMAPK1ALDH1A1MAPT

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
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