SCHEMBL2761298

SCHEMBL2761298

O=C(O)N[C@H](Cc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2)noc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGFR P43088 4/20 0.39
ALPL P05186 1/20 0.39
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
NR1I2 O75469 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL2761216 0.89 CSGALNACT1 (0.39) MEN1KMT2AALPLUSP2CYP3A4
SCHEMBL2635753 0.88 CSGALNACT1 (0.38) MEN1KMT2AALPLUSP2CYP3A4
SCHEMBL2761302 0.77 RAB9A (0.42) MEN1KMT2ACYP2C9
SCHEMBL2836880 0.77 RAB9A (0.42) MEN1KMT2ACYP2C9
SCHEMBL2762285 0.76 SMN1; SMN2 (0.39) KMT2AUSP2CYP3A4CYP1A2CYP2D6
SCHEMBL16700029 0.76 PTGER4 (0.42) PTGFRUSP2CYP3A4NR1I2ADRB1
SCHEMBL2839712 0.76 RAB9A (0.38) PTPN1DUSP3MAPT
SCHEMBL2640655 0.75 SCD (0.40) MEN1KMT2AMAPT
SCHEMBL2761391 0.75 RAB9A (0.40) MEN1KMT2AMAPT
SCHEMBL2762295 0.73 FPR2 (0.40) MEN1KMT2AMAPT

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-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed