SCHEMBL6860233

SCHEMBL6860233

Cc1ccc(N2CCN(CCCN3C(=O)CCC3=O)CC2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.52
DRD2 P14416 6/20 0.52
DRD3 P35462 6/20 0.52
ADRB2 P07550 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
ADRB1 P08588 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR7 P34969 2/20 0.51
SIGMAR1 Q99720 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL7653981 0.99 DRD4 (0.51) DRD4DRD2DRD3ADRB2CHRM2
SCHEMBL7663973 0.95 HTR7 (0.58) DRD4DRD2DRD3ADRB2CHRM2
Hydrochloric Acid SCHEMBL7661830 0.94 HTR7 (0.57) DRD4DRD2DRD3ADRB2CHRM2
SCHEMBL6474033 0.81 HTR7 (0.60) DRD4DRD2DRD3ADRB1HTR7
Hydrochloric Acid SCHEMBL7610245 0.80 HTR7 (0.59) DRD4DRD2DRD3ADRB1HTR7
SCHEMBL7041798 0.79 GRIN1 (0.71) DRD4DRD2DRD3ADRB2CHRM2
SCHEMBL7657148 0.79 DRD2 (0.78) DRD4DRD2DRD3ADRB2CHRM2
SCHEMBL7663026 0.78 DRD2 (0.69) DRD4DRD2DRD3HTR7MEN1
SCHEMBL6867106 0.78 DRD2 (0.78) DRD4DRD2DRD3SIGMAR1
SCHEMBL6860398 0.78 HTR1A (0.74) DRD4DRD2DRD3HTR7SIGMAR1

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 9 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-6420366-B1 PERIPHERAL VASCULAR DISEASE, CONGESTIVE HEART FAILURE, HYPERTENSION AND ESPECIALLY BENIGN PROSTATIC HYPERTROPHY. RANBAXY LABORATORIES LIMITED (IN) 2002-07-16 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-6410735-B1 CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS; BENGIN PROSTATIC HYPERPLASIA RANBAXY LABORATORIES LIMITED (IN) 2002-06-25 US disclosed
EP-1097134-A1 ARYLPIPERAZINE DERIVATIVES USEFUL AS UROSELECTIVE ALPHA1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2001-05-09 EP 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
WO-2000005206-A1 ARYLPIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE ALPHA-1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (US) 2000-02-03 WO disclosed
WO-2000005205-A1 ARYLPIPERAZINE DERIVATIVES USEFUL AS UROSELECTIVE ALPHA1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (US) 2000-02-03 WO disclosed