SCHEMBL7393085

SCHEMBL7393085

O=C(CCCCCN1CC[C](O)CC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.60
▸ DRD3 P35462 4/20 0.60
▸ HTR1A P08908 3/20 0.60
▸ HTR2A P28223 3/20 0.60
▸ HTR7 P34969 3/20 0.60
▸ HTR2B P41595 3/20 0.60
▸ HRH1 P35367 2/20 0.60
▸ SLC6A4 P31645 1/20 0.60
▸ MAPT P10636 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ HTR2C P28335 1/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54

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
SCHEMBL5182996 0.84 ALDH1A1 (0.76) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL7390493 0.84 MAPT (0.61) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL7390501 0.84 MAPT (0.61) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL7386508 0.84 MAPT (0.61) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL7390405 0.83 HTR1A (0.55) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL2834503 0.83 ALDH1A1 (0.79) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL7385393 0.82 DRD2 (0.58) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL11077909 0.82 DRD2 (0.58) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL7393089 0.81 ADRA1D (0.62) DRD2HTR2AMAPTL3MBTL1LMNA
SCHEMBL13089316 0.79 ALDH1A1 (0.66) DRD2HTR7ALDH1A1KMT2A

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
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
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