SCHEMBL7388024

SCHEMBL7388024

CC(C)(C)OC(=O)NCC1CCN(CCCCNCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 4/20 0.46
CCR3 P51677 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
CACNA1G O43497 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL7389968 0.93 DRD2 (0.51) SIGMAR1DRD2CCR3CKS1BSKP1
SCHEMBL7392116 0.89 SIGMAR1 (0.55) SIGMAR1DRD2CCR3CKS1BSKP1
SCHEMBL7385234 0.88 SIGMAR1 (0.52) SIGMAR1DRD2CKS1BSKP1SKP2
SCHEMBL7392112 0.83 LTA4H (0.58) SIGMAR1DRD2
SCHEMBL7392114 0.83 LTA4H (0.58) SIGMAR1DRD2
SCHEMBL3289146 0.82 DRD2 (0.56) DRD2CKS1BSKP1SKP2ACACB
SCHEMBL14432029 0.82 DRD2 (0.56) DRD2CKS1BSKP1SKP2ACACB
SCHEMBL5450728 0.82 DRD2 (0.56) DRD2CKS1BSKP1SKP2ACACB
SCHEMBL19100453 0.81 ACHE (0.50) SIGMAR1DRD2
SCHEMBL7973018 0.81 CHRNB2 (0.62) SIGMAR1

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