SCHEMBL3731465

SCHEMBL3731465

CC(C)(C)OC(=O)N1CC(OC(=O)O)CC(c2ccc(CC(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.43
TACR1 P25103 3/20 0.40
F2R P25116 2/20 0.40
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PDE4B Q07343 4/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
LIPE Q05469 1/20 0.37
NAMPT P43490 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
SCHEMBL3724390 0.87 F2R (0.42) TACR1F2R
SCHEMBL21381940 0.87 RORC (0.48) RORCTACR1NR1H2KDM4EPDE4B
SCHEMBL1580870 0.86 RORC (0.50) RORCTACR1F2RKDM4EGPR119
SCHEMBL1053602 0.85 RORC (0.44) RORCTACR1F2RNR1H2KDM4E
SCHEMBL1580729 0.84 LIPE (0.48) RORCTACR1F2RKDM4EPDE4B
SCHEMBL3796145 0.80 F2R (0.48) F2R
SCHEMBL3725314 0.80 F2R (0.47) RORCTACR1F2R
SCHEMBL21381707 0.77 MGLL (0.47) RORCTACR1NR1H2KDM4EPDE4B
SCHEMBL690145 0.75 NR1H2 (0.50) RORCNR1H2PDE4BGPR119NAMPT
SCHEMBL12018646 0.75 CNR1 (0.39) RORCTACR1F2RNR1H2KDM4E

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-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed