SCHEMBL1289371

SCHEMBL1289371

CC(OOCCF)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.41
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
HTR2A P28223 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
LMNA P02545 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
HRH1 P35367 2/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL27592145 0.78 LTA4H (0.43) HTR2ALMNATSHRMAPK1SMN1; SMN2
SCHEMBL1289408 0.78 TAAR1 (0.40) TAAR1HTR2AHCAR2LMNAADRA2A
SCHEMBL464725 0.76 HCAR2 (0.45) TAAR1HCAR2LMNAADRA2AADRA2B
SCHEMBL27704702 0.76 NPSR1 (0.39) TAAR1HTR2AHCAR2LMNAADRA2A
SCHEMBL10601685 0.74 TSHR (0.43) TAAR1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL27770216 0.73 TSHR (0.41) TAAR1LMNATSHRSLC6A2SLC6A4
SCHEMBL5431494 0.72 HCAR2 (0.42) TAAR1HCAR2LMNAADRA2AADRA2B
SCHEMBL27685764 0.70 HCAR2 (0.41) TAAR1HCAR2LMNAADRA2AADRA2B
SCHEMBL7853355 0.70 HCAR2 (0.41) TAAR1HCAR2LMNAADRA2AADRA2B
Bicarbonate SCHEMBL6548895 0.69 HCAR2 (0.53) HCAR2LMNACYP2D6FFAR1MAPK1

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-2621526-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS Agensys, Inc. (US) 2013-08-07 EP disclosed
WO-2012047724-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS AGENSYS, INC. (US) 2012-04-12 WO disclosed