SCHEMBL6949845

SCHEMBL6949845

O=C(N[C@H]1CCN(Cc2ccc(I)c(OCCN3CCNCC3)c2)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 19/20 0.81
DRD2 P14416 2/20 0.63
HTR1A P08908 1/20 0.63
CYP2D6 P10635 1/20 0.63
HTR1D P28221 1/20 0.63
HTR2C P28335 1/20 0.63
HTR1F P30939 1/20 0.63
HTR2B P41595 1/20 0.63
HTR6 P50406 1/20 0.63
CYP3A43 Q9HB55 1/20 0.63
DRD4 P21917 1/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL6949854 1.00 UTS2R (0.81) UTS2RDRD2HTR1ACYP2D6HTR1D
SCHEMBL6953061 0.86 UTS2R (0.62) UTS2RDRD2HTR1ACYP2D6HTR1D
SCHEMBL6944246 0.85 UTS2R (0.80) UTS2R
SCHEMBL6948683 0.85 UTS2R (0.80) UTS2R
SCHEMBL6950192 0.80 UTS2R (0.66) UTS2RDRD2HTR1ACYP2D6HTR1D
SCHEMBL6950185 0.80 UTS2R (0.66) UTS2RDRD2HTR1ACYP2D6HTR1D
SCHEMBL6948144 0.79 UTS2R (0.86) UTS2RDRD2HTR1ACYP2D6HTR1D
SCHEMBL6948138 0.79 UTS2R (0.86) UTS2RDRD2HTR1ACYP2D6HTR1D
SCHEMBL6596375 0.78 UTS2R (0.52) UTS2R
SCHEMBL6944305 0.77 UTS2R (1.00) UTS2RDRD2HTR1ACYP2D6HTR1D

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
EP-1244452-B1 CARBOXAMIDE DERIVATES OF PYRROLIDINE AND PIPERIDINE AS UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
US-6544992-B1 Carbonylamino pyrrolidine and piperidine derivatives SMITHKLINE BEECHAM CORPORATION 2003-04-08 US claimed
EP-1244452-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1244452-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-10-02 EP claimed
WO-2001045711-A1 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-28 WO claimed
EP-1244452-B1 CARBOXAMIDE DERIVATES OF PYRROLIDINE AND PIPERIDINE AS UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6544992-B1 Carbonylamino pyrrolidine and piperidine derivatives SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed