SCHEMBL27337232

SCHEMBL27337232

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccc(N4C=CNC4)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
MAPT P10636 4/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
HTR1D P28221 4/20 0.42
HTR1B P28222 4/20 0.42
HTR1A P08908 1/20 0.42
HTR1F P30939 1/20 0.42
LMNA P02545 1/20 0.41
GPR119 Q8TDV5 2/20 0.41

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
SCHEMBL8618496 0.82 CYP1A2 (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL12127418 0.81 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL892836 0.81 OPRM1 (0.53) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4674153 0.81 HSD11B1 (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL6212815 0.81 HTR1D (0.62) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL30567991 0.81 OPRM1 (0.53) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL28380406 0.80 MTNR1A (0.61) ALDH1A1MAPTHTR1ALMNAHSD11B1
Hydrochloric Acid SCHEMBL1703941 0.80 OPRM1 (0.52) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2263846 0.79 CCR2 (0.52) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL21384720 0.79 KDM4E (0.47) KDM4EBRD4ALDH1A1POLBCREBBP

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
CN-1051313-C 5-arylindole derivatives PFIZER (US) 2000-04-12 CN disclosed
CN-1094727-A The 5-(hetero) aryl indole derivatives PFIZER (US) 1994-11-09 CN disclosed