SCHEMBL22491597

SCHEMBL22491597

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3cc(CF)c(Cl)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 2/20 0.44
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CREBBP Q92793 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
CNR1 P21554 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
DPP4 P27487 1/20 0.40
STS P08842 3/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL22773228 0.87 MAPT (0.47) MAPTKDM4ETHRBBRD4ALDH1A1
SCHEMBL892836 0.81 OPRM1 (0.53) MAPTKDM4ETHRBBRD4ALDH1A1
SCHEMBL30567991 0.81 OPRM1 (0.53) MAPTKDM4ETHRBBRD4ALDH1A1
SCHEMBL4771971 0.81 AVPR1A (0.50) MAPTKDM4ETHRBBRD4ALDH1A1
Hydrochloric Acid SCHEMBL1703941 0.80 OPRM1 (0.52) MAPTKDM4ETHRBBRD4ALDH1A1
SCHEMBL24377767 0.79 KDM4E (0.47) MAPTKDM4ETHRBBRD4ALDH1A1
SCHEMBL4674153 0.79 HSD11B1 (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4882143 0.79 DRD2 (0.56) MAPTKDM4ETHRBBRD4ALDH1A1
SCHEMBL21384720 0.78 KDM4E (0.47) MAPTKDM4ETHRBBRD4ALDH1A1
SCHEMBL8618496 0.77 CYP1A2 (0.63) MAPTKDM4ETHRBBRD4ALDH1A1

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
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed