SCHEMBL6486972

SCHEMBL6486972

COc1ccccc1N1CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.79
DRD2 P14416 2/20 0.68
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67
HTR1D P28221 1/20 0.66
HTR2B P41595 1/20 0.66
DRD3 P35462 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 SCHEMBL6482862 0.99 HTR1A (0.77) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6484702 0.92 HTR1A (0.78) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6473994 0.91 HTR1A (0.77) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL13282715 0.88 HTR1A (0.73) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL1578260 0.88 HTR1A (1.00) HTR1ADRD2HTR1DHTR2B
SCHEMBL6482449 0.87 HTR1A (0.65) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6484692 0.86 HTR1A (0.81) HTR1ADRD2ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL6971387 0.85 HTR1A (0.79) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL6482925 0.85 HTR1A (0.69) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL8422427 0.85 HTR1A (0.69) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894052-B1 Serotonergic receptor antagonist RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2005-05-17 US claimed
EP-1000046-B1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI CHEM PHARM (CH) 2003-11-26 EP claimed
JP-2001512111-A 2001-08-21 JP claimed
EP-1000046-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP claimed
WO-1999006383-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO claimed
EP-1000046-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006383-A1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed