SCHEMBL7110391

SCHEMBL7110391

O=C1CCCC(=O)N1CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.67
GRIN1 Q05586 1/20 0.65
GRIN2B Q13224 1/20 0.65
DRD2 P14416 4/20 0.60
ADRA1D P25100 2/20 0.60
ADRA1A P35348 2/20 0.60
ADRA1B P35368 2/20 0.60
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
HTR7 P34969 1/20 0.58
DRD3 P35462 3/20 0.53
ADRB2 P07550 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
ADRB1 P08588 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD4 P21917 1/20 0.53

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
SCHEMBL7041798 0.94 GRIN1 (0.71) HTR1AGRIN1GRIN2BDRD2ADRA1D
Hydrochloric Acid SCHEMBL6867233 0.93 GRIN1 (0.70) HTR1AGRIN1GRIN2BDRD2ADRA1D
SCHEMBL7661464 0.86 DRD2 (0.61) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6868003 0.85 DRD2 (0.60) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL5178467 0.85 ADRA1B (0.65) HTR1AGRIN1GRIN2BDRD2ADRA1D
SCHEMBL7667171 0.84 HTR7 (0.53) HTR1AGRIN1GRIN2BDRD2ADRA1D
SCHEMBL5179345 0.84 ADRA1B (0.60) HTR1AGRIN1GRIN2BDRD2ADRA1D
SCHEMBL7735999 0.83 HTR1A (0.69) HTR1ADRD2HTR7DRD3DRD4
Hydrochloric Acid SCHEMBL6866192 0.82 HTR1A (0.68) HTR1ADRD2ADRA1AHTR7DRD3
SCHEMBL7663973 0.80 HTR7 (0.58) HTR1ADRD2ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1168714-C Arylpiperazine derivatives useful as uroselective alpha-adrenoceptor blockers ʵ 2004-09-29 CN claimed
CN-1318052-A Arylpiperazine derivatives useful as uroselective alpha-adrenoceptor blockers RANBAXY LAB LTD (IN) 2001-10-17 CN claimed
US-6812344-B1 SYTHESIS OF COMPOUNDS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA RANBAXY LABORATORIES LIMITED (IN) 2004-11-02 US disclosed
CN-1168714-C Arylpiperazine derivatives useful as uroselective alpha-adrenoceptor blockers ʵ 2004-09-29 CN 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
CN-1318052-A Arylpiperazine derivatives useful as uroselective alpha-adrenoceptor blockers RANBAXY LAB LTD (IN) 2001-10-17 CN 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