SCHEMBL5012787

SCHEMBL5012787

CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(Cl)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
TACR1 P25103 1/20 0.48
GPR119 Q8TDV5 4/20 0.47
RORC P51449 4/20 0.42
P2RY14 Q15391 1/20 0.41
STS P08842 1/20 0.40
MMP13 P45452 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
MGLL Q99685 1/20 0.40
TGFBR1 P36897 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL646451 0.85 MAPT (0.47) MAPTTACR1GPR119RORCMMP13
SCHEMBL3247703 0.78 USP2 (0.47) MAPTTACR1GPR119RORCALOX15
SCHEMBL6795066 0.78 MAPT (0.55) MAPTTACR1GPR119RORCSTS
SCHEMBL13131400 0.76 GPR119 (0.54) MAPTTACR1GPR119TSHR
SCHEMBL4244426 0.76 MAPT (0.53) MAPTTACR1GPR119RORCP2RY14
SCHEMBL30835990 0.75 MAPT (0.50) MAPTTACR1GPR119RORCP2RY14
SCHEMBL645190 0.75 MAPT (0.47) MAPTTACR1GPR119RORCSTS
SCHEMBL24484249 0.75 MAPT (0.52) MAPTTACR1GPR119RORCSTS
SCHEMBL24485515 0.74 MAPT (0.51) MAPTTACR1GPR119RORCSTS
SCHEMBL30600319 0.74 MAPT (0.51) MAPTTACR1GPR119RORCP2RY14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO disclosed