SCHEMBL19974334

SCHEMBL19974334

O=Cc1ccc(C(F)(F)F)cc1C1CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
SLC9A1 P19634 5/20 0.43
TRPV1 Q8NER1 1/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
ENPP2 Q13822 2/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL19974343 0.84 PTGDR2 (0.45) RBP4PTGDR2MRGPRX4
SCHEMBL19992928 0.83 STS (0.47) TRPV1ENPP2POLB
SCHEMBL27486622 0.83 CHRNB2 (0.44) PTGDR2IDO1MRGPRX4POLB
SCHEMBL1094396 0.83 RBP4 (0.47) RBP4PTGDR2SLC9A1TRPV1IDO1
SCHEMBL15012563 0.82 RBP4 (0.46) RBP4PTGDR2SLC9A1TRPV1IDO1
SCHEMBL21722815 0.81 PTGDR2 (0.42) RBP4PTGDR2TRPV1MRGPRX4
SCHEMBL6807066 0.81 PTGDR2 (0.49) PTGDR2MRGPRX4HTR2A
SCHEMBL23858293 0.80 TRPV1 (0.55) RBP4PTGDR2SLC9A1TRPV1IDO1
SCHEMBL21722950 0.80 PTGDR2 (0.48) RBP4PTGDR2TRPV1MRGPRX4POLB
SCHEMBL1094926 0.79 PTGDR2 (0.55) RBP4PTGDR2SLC9A1TRPV1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515897-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2019-07-31 EP disclosed
WO-2018053447-A1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2018-03-22 WO disclosed