SCHEMBL5750697

SCHEMBL5750697

CC(C)(C)OC(=O)ON1CCC(c2c[nH]c3ccncc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.43
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
HTR1D P28221 4/20 0.41
HTR1A P08908 3/20 0.41
HTR1F P30939 3/20 0.41
HTR1B P28222 3/20 0.41
CCR2 P41597 3/20 0.40
GPR119 Q8TDV5 2/20 0.39
HSD11B1 P28845 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 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
SCHEMBL4767261 0.85 GPR119 (0.53) CTSSKDM4EBRD4ALDH1A1POLB
SCHEMBL373860 0.85 KDM4E (0.60) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27926316 0.82 HSD11B1 (0.49) CTSSKDM4EBRD4ALDH1A1POLB
SCHEMBL5750470 0.81 HSD11B1 (0.56) HSD11B1
SCHEMBL5749634 0.81 HTR1D (0.42) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324777 0.78 KDM4E (0.69) CTSSKDM4EBRD4ALDH1A1POLB
SCHEMBL31001677 0.77 GPR119 (0.53) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL12327686 0.77 GPR119 (0.53) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL2064650 0.76 HTR1D (0.59) CTSSKDM4EHTR1DHTR1AHTR1F
SCHEMBL27687984 0.74 KDM4E (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP claimed