SCHEMBL132842

SCHEMBL132842

Nc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.42
PRMT1 Q99873 1/20 0.41
RORC P51449 7/20 0.40
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NR1I2 O75469 1/20 0.37
ENPP2 Q13822 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
SCHEMBL104461 0.89 SMARCA2 (0.46) GRM5PRMT1RORC
SCHEMBL106403 0.83 RORC (0.39) GRM5RORCNPC1ALDH1A1
SCHEMBL106404 0.83 RORC (0.39) GRM5RORCNPC1ALDH1A1
SCHEMBL105867 0.77 TACR1 (0.45) GRM5RORC
SCHEMBL103004 0.75 MAPT (0.49) RORCALDH1A1LMNAENPP2
SCHEMBL168097 0.75 SLC2A1 (0.44) RORCKDM4E
SCHEMBL3592710 0.75 GRM5 (0.41) GRM5RORCALDH1A1ENPP2
SCHEMBL168096 0.75 SLC2A1 (0.44) RORCKDM4E
SCHEMBL103414 0.75 GRM5 (0.41) GRM5RORCALDH1A1ENPP2
SCHEMBL106246 0.73 GPR119 (0.42) RORC

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-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed