SCHEMBL14537751

SCHEMBL14537751

Cc1cc(-c2cccc(F)c2)ccc1B1Oc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
ESR2 Q92731 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
PGR P06401 5/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL258030 0.88 TAAR1 (0.42) TAAR1ESR2TNKS2CA12CA9
SCHEMBL14537752 0.81 TAAR1 (0.41) TAAR1ESR2TNKS2PGRPDE3B
SCHEMBL17010798 0.79 LIPG (0.44) TAAR1ESR2TNKS2PGRPDE3B
SCHEMBL12261266 0.79 NPC1 (0.37) PDE3BPDE3AACHECYP3A4PDK2
SCHEMBL12062032 0.74 NFE2L2 (0.36) CA9PDE3A
SCHEMBL18970438 0.71 TAAR1 (0.55) TAAR1ESR2TNKS2PGRPDE3B
SCHEMBL2297807 0.71 TAAR1 (0.47) TAAR1ESR2TNKS2CA12CA9
SCHEMBL15976054 0.71 NFE2L2 (0.33) ACHE
SCHEMBL18970412 0.70 TAAR1 (0.53) TAAR1ESR2TNKS2PGRACHE
SCHEMBL10269575 0.69 LIPG (0.45) TAAR1ESR2TNKS2PGRCYP11B2

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
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed