SCHEMBL6475314

SCHEMBL6475314

COc1ccccc1N1CCN(CCC(c2ccccn2)c2ccccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.62
DRD2 P14416 6/20 0.59
ADRA1A P35348 3/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD3 P35462 3/20 0.58

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
SCHEMBL6482449 0.94 HTR1A (0.65) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL6486916 0.85 DRD2 (0.59) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL8651533 0.83 HTR1A (0.57) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL6486972 0.82 HTR1A (0.79) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL8646293 0.81 HTR1A (0.53) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL8643847 0.81 HTR1A (0.51) HTR1ADRD2ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL6482862 0.81 HTR1A (0.77) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL6547111 0.81 MAPT (0.53) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL10753828 0.81 IGF1R (0.63) HTR1ADRD2ADRA1AADRA1DADRA1B
SCHEMBL8647802 0.81 DRD2 (0.55) HTR1ADRD2ADRA1AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6894052-B1 Serotonergic receptor antagonist RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2005-05-17 US disclosed
EP-1000046-B1 PIPERAZINE DERIVATIVES ACTIVE ON THE LOWER URINARY TRACT RECORDATI CHEM PHARM (CH) 2003-11-26 EP disclosed