SCHEMBL6865196

SCHEMBL6865196

O=C1CCC(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.87
DRD2 P14416 2/20 0.68
DRD3 P35462 2/20 0.68
DRD5 P21918 1/20 0.68
HTR1A P08908 2/20 0.64
DRD1 P21728 1/20 0.64
HTR2A P28223 1/20 0.64
HTR6 P50406 1/20 0.64

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 SCHEMBL7663753 0.99 HTR7 (0.85) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL7668123 0.95 HTR7 (0.95) HTR7DRD2DRD3DRD5HTR1A
Hydrochloric Acid SCHEMBL6866824 0.94 HTR7 (0.93) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL11465528 0.88 SIGMAR1 (0.76) HTR7DRD2DRD3HTR1ADRD1
SCHEMBL10836050 0.86 HTR7 (0.72) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL11167038 0.85 HTR7 (0.68) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL9364308 0.84 SIGMAR1 (0.77) HTR7DRD2DRD3DRD5
SCHEMBL5178743 0.84 HTR7 (0.72) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL9844900 0.83 HTR1A (0.88) HTR7DRD2DRD3DRD5HTR1A
SCHEMBL21802017 0.83 HTR7 (0.76) HTR7DRD2DRD3DRD5HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812344-B1 SYTHESIS OF COMPOUNDS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA RANBAXY LABORATORIES LIMITED (IN) 2004-11-02 US disclosed
US-6420559-B1 THE COMPOUNDS ARE USEFUL FOR TREATMENT OF DISEASE CONDITIONS, SUCH AS PERIPHERAL VASCULAR DISEASE, CONGESTIVE HEART FAILURE, HYPERTENSION AND ESPECIALLY BENIGN PROSTATIC HYPERTROPHY. RANBAXY LABORATORIES LIMITED (IN) 2002-07-16 US disclosed
US-6420366-B1 PERIPHERAL VASCULAR DISEASE, CONGESTIVE HEART FAILURE, HYPERTENSION AND ESPECIALLY BENIGN PROSTATIC HYPERTROPHY. RANBAXY LABORATORIES LIMITED (IN) 2002-07-16 US disclosed
US-6410735-B1 CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS; BENGIN PROSTATIC HYPERPLASIA RANBAXY LABORATORIES LIMITED (IN) 2002-06-25 US disclosed
US-6090809-A 1-(4-arylpiperazin-1-yl)-ω-[n-(α..omega.-dicarboximido)]-alkanes useful as uro-selective α1 -adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2000-07-18 US disclosed
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 disclosed