SCHEMBL7657148

SCHEMBL7657148

O=C1CCC(=O)N1CCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.78
DRD3 P35462 7/20 0.78
DRD4 P21917 6/20 0.78
ADRB2 P07550 1/20 0.78
CHRM2 P08172 1/20 0.78
CHRM4 P08173 1/20 0.78
ADRB1 P08588 1/20 0.78
CHRM5 P08912 1/20 0.78
CHRM1 P11229 1/20 0.78
CHRM3 P20309 1/20 0.78
ADRA1D P25100 1/20 0.78
ADRA1A P35348 1/20 0.78
ADRA1B P35368 1/20 0.78
HTR1A P08908 6/20 0.71
KCNH2 Q12809 1/20 0.65
HTR7 P34969 2/20 0.63
DRD5 P21918 1/20 0.63
GRIN1 Q05586 1/20 0.60
GRIN2B Q13224 1/20 0.60
CYP2D6 P10635 1/20 0.59

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
Hydrochloric Acid SCHEMBL6860289 0.98 DRD2 (0.76) DRD2DRD3DRD4ADRB2CHRM2
Hydrochloric Acid SCHEMBL7831963 0.85 DRD2 (0.62) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL7041798 0.85 GRIN1 (0.71) DRD2DRD3DRD4ADRB2CHRM2
SCHEMBL5988317 0.85 KCNH2 (0.88) DRD2DRD3CHRM4CHRM3HTR1A
SCHEMBL6867106 0.84 DRD2 (0.78) DRD2DRD3DRD4KCNH2
SCHEMBL9030433 0.84 HTR1A (0.74) DRD2DRD3DRD4ADRB2CHRM2
Hydrochloric Acid SCHEMBL6867233 0.84 GRIN1 (0.70) DRD2DRD3DRD4ADRB2CHRM2
Hydrochloric Acid SCHEMBL7653425 0.83 DRD2 (0.77) DRD2DRD3DRD4KCNH2
SCHEMBL7986148 0.83 HTR1A (1.00) ADRA1DADRA1AADRA1BHTR1AHTR7
SCHEMBL7620067 0.83 CHRM2 (0.80) DRD2DRD3DRD4ADRB2CHRM2

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-6083950-A TREATMENT OF PERIPHERAL VASCULAR DISEASE, CONGESTIVE HEART FAILURE, HYPERTENSION AND ESPECIALLY BENIGN PROSTATIC HYPERTROPHY RANBAXY LABORATORIES LIMITED (IN) 2000-07-04 US claimed
US-6420366-B1 PERIPHERAL VASCULAR DISEASE, CONGESTIVE HEART FAILURE, HYPERTENSION AND ESPECIALLY BENIGN PROSTATIC HYPERTROPHY. RANBAXY LABORATORIES LIMITED (IN) 2002-07-16 US disclosed