SCHEMBL7302875

SCHEMBL7302875

O=C(CCCN1CCNCC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.62
HRH1 P35367 3/20 0.59
HTR1A P08908 2/20 0.59
HTR2A P28223 2/20 0.59
HTR7 P34969 2/20 0.59
DRD3 P35462 2/20 0.59
HTR2B P41595 2/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1D P25100 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 5/20 0.58
HRH2 P25021 1/20 0.57
GFER P55789 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
MAPT P10636 2/20 0.55
MCHR1 Q99705 1/20 0.54
HTR2C P28335 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
SCHEMBL5597718 0.90 KMT2A (0.71) HTR1ASLC6A4ALDH1A1KMT2AGFER
SCHEMBL13089443 0.90 ALDH1A1 (0.58) DRD2HRH1HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL4820975 0.89 ALDH1A1 (0.71) HTR1ASLC6A4ALDH1A1KMT2AGFER
SCHEMBL7755956 0.85 TSHR (0.70) DRD2HRH1HTR1AHTR2AHTR7
SCHEMBL7645836 0.84 ALDH1A1 (0.81) DRD2HRH1HTR1AHTR2AHTR7
SCHEMBL10603564 0.84 ALDH1A1 (0.81) DRD2HRH1HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL10788566 0.84 TSHR (0.72) DRD2HRH1HTR1AHTR2ADRD3
SCHEMBL7388601 0.83 DRD2 (0.63) DRD2HRH1HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL10606849 0.83 ALDH1A1 (0.82) DRD2HRH1HTR1AHTR2AHTR7
SCHEMBL501352 0.81 ALDH1A1 (0.82) DRD2HRH1HTR1AHTR2AHTR7

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
JP-5238934-A None JP disclosed
EP-0538897-B1 The use of BMY 14802 in the treatment of anxiety in benzodiazepine-withdrawn patients BRISTOL MYERS SQUIBB CO (US) 1997-03-26 EP disclosed
US-5278164-A Treatment of anxiety in benzodiazepine-withdrawn patients BRISTOL-MYERS SQUIBB CO. (US) 1994-01-11 US disclosed
JP-H05238934-A ANTIDEPRESSANT BRISTOL MYERS SQUIBB CO 1993-09-17 JP disclosed
EP-0538897-A1 The use of BMY 14802 in the treatment of anxiety in benzodiazepine-withdrawn patients Bristol-Myers Squibb Company (US) 1993-04-28 EP disclosed
US-5055470-A METHOD OF TREATMENT OF ISCHEMIA IN BRAIN BRISTOL-MYERS SQUIBB CO. (US) 1991-10-08 US disclosed
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed
EP-0410114-A2 Use of 4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-(4-fluorophenyl)-butanol in pharmaceutical compositions for the treatment of ischemia in brain Bristol-Myers Squibb Company (US) 1991-01-30 EP disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP disclosed
US-4605655-A NEUROLEPTIC AGENTS; NO MOVEMENT DISORDER SIDE EFFECTS BRISTOL-MYERS COMPANY (US) 1986-08-12 US disclosed
US-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 US disclosed
US-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 US disclosed
US-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 US disclosed