SCHEMBL9024932

SCHEMBL9024932

BrCCCCN1CCN(c2ncccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.58
DRD2 P14416 7/20 0.58
HTR2A P28223 5/20 0.58
DRD3 P35462 5/20 0.58
DRD1 P21728 2/20 0.58
DRD5 P21918 1/20 0.58
HRH3 Q9Y5N1 2/20 0.54
DRD4 P21917 2/20 0.53
ADRA2C P18825 2/20 0.53
HTR2C P28335 2/20 0.53
HRH1 P35367 2/20 0.53
SLC22A2 O15244 1/20 0.53
ABCB11 O95342 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CNR1 P21554 1/20 0.53
ADRA1D P25100 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
SCHEMBL26108581 0.89 HTR1A (0.65) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL26492991 0.89 HTR1A (0.65) HTR1ADRD2HTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL26108377 0.87 DRD2 (0.63) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9260064 0.84 HTR1A (0.60) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7488440 0.83 HTR1A (0.58) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL4447104 0.83 DRD2 (0.58) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL9557902 0.83 HTR1A (0.58) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL1254644 0.82 HTR1A (0.57) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL7656340 0.82 CYP2D6 (0.59) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL8416329 0.81 HTR1A (0.57) HTR1ADRD2HTR2ADRD3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409681-A Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-02-11 CN claimed
CN-119409681-B Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-12-16 CN disclosed
CN-119409681-A Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-02-11 CN disclosed
CN-119409681-A Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-02-11 CN disclosed
EP-0497659-B1 Aryl(or Heteroaryl)-piperazinyl-alkyl-azole derivatives, their preparation and their application as drugs ESTEVE LABOR DR (ES) 1996-04-10 EP disclosed
US-5382586-A Tranquilizers LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1995-01-17 US disclosed
US-5292739-A Aryl(or heteroaryl) piperazinylalkylazole derivatives, their preparation and their application as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1994-03-08 US disclosed
US-5182281-A (OMEGA-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)ALKYL)-1H-AZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF COGNITIVE FUNCTIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1993-01-26 US disclosed
US-5162323-A 4-Pyrimidinyl-1-/Piperazinylalkyl/-1H-Pyrazole LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-11-10 US disclosed
EP-0497659-A1 Aryl(or Heteroaryl)-piperazinyl-alkyl-azole derivatives, their preparation and their application as drugs LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-08-05 EP disclosed
US-4423049-A TRANQUILIZERS MEAD JOHNSON & COMPANY (US) 1983-12-27 US disclosed