SCHEMBL6475306

SCHEMBL6475306

COc1ccccc1N1CCN(CCN(c2ccccn2)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.56
ADRA1A P35348 4/20 0.56
CYP2D6 P10635 3/20 0.56
CYP3A4 P08684 2/20 0.56
DRD4 P21917 6/20 0.55
ADRA1D P25100 3/20 0.55
ADRA1B P35368 3/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2C19 P33261 1/20 0.55
MTOR P42345 1/20 0.55
RAB9A P51151 1/20 0.55
HIF1A Q16665 1/20 0.55
HTR1B P28222 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.54

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
SCHEMBL6475458 0.85 HTR1A (0.66) HTR1AADRA1ACYP2D6CYP3A4DRD4
Hydrochloric Acid SCHEMBL6474672 0.84 MEN1 (0.66) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL6933895 0.78 HTR1A (0.58) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL898147 0.77 CYP2D6 (0.79) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL6928299 0.77 DRD2 (0.56) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL989581 0.76 HTR1A (0.69) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL6935547 0.76 HTR1A (0.53) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL6932611 0.74 HTR1A (0.66) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL6931608 0.74 HTR1A (0.49) HTR1AADRA1ACYP2D6CYP3A4TSHR
SCHEMBL6930437 0.74 HTR1A (0.58) HTR1AADRA1ACYP2D6CYP3A4ADRA1D

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
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