SCHEMBL7394247

SCHEMBL7394247

Cc1cccc(C(=O)CCCCCN2CC[CH]CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.49
▸ KCNH2 Q12809 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MCHR1 Q99705 1/20 0.45
▸ CTNNB1 P35222 2/20 0.45
▸ WNT3A P56704 2/20 0.45
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL17082801 0.88 KDM4E (0.57) DRD4L3MBTL1KDM4E
SCHEMBL7383608 0.87 DRD4 (0.41) DRD4L3MBTL1KDM4EDRD2DRD3
SCHEMBL7391718 0.86 DRD4 (0.47) DRD4L3MBTL1KDM4ECTNNB1DRD2
SCHEMBL7387492 0.85 DRD4 (0.47) DRD4L3MBTL1KDM4EDRD2
SCHEMBL7390484 0.85 DRD4 (0.54) DRD4KCNH2L3MBTL1KDM4EDRD2
SCHEMBL7390338 0.85 DRD2 (0.56) DRD4KCNH2L3MBTL1KDM4ECTNNB1
SCHEMBL7390423 0.85 DRD4 (0.47) DRD4L3MBTL1KDM4EDRD2DRD3
SCHEMBL7389570 0.85 DRD4 (0.54) DRD4KCNH2L3MBTL1KDM4EDRD2
SCHEMBL7390321 0.84 DRD4 (0.47) DRD4L3MBTL1KDM4EDRD2
SCHEMBL7393279 0.84 DRD4 (0.69) DRD4KCNH2CTNNB1WNT3ADRD2

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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