SCHEMBL14495702

SCHEMBL14495702

C=C(N[C@@H](CC(C)C)C(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2C)CC1)c1cc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.59
ACKR3 P25106 1/20 0.43
CCR1 P32246 5/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
DRD4 P21917 1/20 0.37
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL14495701 0.89 TRPV4 (0.59) TRPV4ACKR3CCR1SLC6A2SLC6A4
SCHEMBL5004432 0.87 TRPV4 (0.78) TRPV4ACKR3CCR1SLC6A2SLC6A4
SCHEMBL5007798 0.82 TRPV4 (0.68) TRPV4ACKR3CCR1SLC6A2SLC6A4
SCHEMBL4980366 0.77 TRPV4 (0.80) TRPV4ACKR3CCR1TAS1R3TAS1R1
SCHEMBL5004275 0.75 TRPV4 (0.87) TRPV4ACKR3CCR1TAS1R3TAS1R1
SCHEMBL5007988 0.75 TRPV4 (1.00) TRPV4ACKR3CCR1TAS1R3TAS1R1
SCHEMBL5004499 0.75 TRPV4 (1.00) TRPV4ACKR3CCR1TAS1R3TAS1R1
SCHEMBL29353598 0.75 TRPV4 (1.00) TRPV4ACKR3CCR1TAS1R3TAS1R1
SCHEMBL28218477 0.75 TRPV4 (1.00) TRPV4ACKR3CCR1TAS1R3TAS1R1
SCHEMBL4993946 0.74 TRPV4 (0.84) TRPV4ACKR3CCR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007070865-A2 PIPERAZINE COMPOUNDS AS AGONISTS OF TRPV4 CHANNEL RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-21 WO disclosed