SCHEMBL4573122

SCHEMBL4573122

O=c1[nH]c2cccc3c2n1CCCC3

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.54
DRD2 P14416 5/20 0.54
DRD3 P35462 5/20 0.54
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
CCNE2 O96020 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 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
SCHEMBL4850347 0.95 HTR1A (0.55) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL7004582 0.83 HPGD (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL377396 0.78 HTR1A (0.51) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL7005388 0.78 HPGD (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL10637456 0.77 HTR1A (0.45) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL97632 0.75 HTR3A (0.48) HTR1ADRD2DRD3
SCHEMBL9309089 0.75 USP2 (0.43) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL7351006 0.75 HTR1A (0.65) HTR1ADRD2DRD3
SCHEMBL8616515 0.74 HTR1A (0.42) HTR1ADRD2DRD3CDK4CCND1
SCHEMBL7353227 0.74 HTR1A (0.64) HTR1ADRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO claimed
EP-3190114-A1 PROCESS FOR MAKING A CRYSTALLINE ZILPATEROL SALT Intervet International B.V. (NL) 2017-07-12 EP disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed