SCHEMBL6988593

SCHEMBL6988593

CCOC(=O)N1CCC(c2c[nH]c3ccc(CC(OC)c4ccsc4)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.39
HTR1B P28222 4/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD11B1 P28845 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39
HTR1A P08908 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTR1F P30939 1/20 0.37
CCR2 P41597 2/20 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
SCHEMBL6991457 0.81 HTR1D (0.46) HTR1DHTR1BNOS3NOS1CYP2C9
SCHEMBL6995543 0.79 SLC6A4 (0.42) HSD11B1HTR1AMTNR1AMTNR1B
SCHEMBL5351948 0.76 MTNR1A (0.62) HSD11B1HTR1AMTNR1AMTNR1BCCR2
SCHEMBL21381780 0.72 KDM4E (0.43) HTR1DHTR1BALDH1A1CYP1A2CYP2C9
SCHEMBL4055416 0.72 ALDH1A1 (0.71) ALDH1A1HSD11B1KDM4EBRD4POLB
SCHEMBL21384720 0.69 KDM4E (0.47) HTR1DHTR1BALDH1A1CYP1A2CYP2C9
SCHEMBL4051581 0.69 DRD2 (0.64) HTR1DHTR1BALDH1A1HSD11B1KDM4E
SCHEMBL21381886 0.68 OPRM1 (0.47) HTR1DHTR1BNOS3NOS1ALDH1A1
SCHEMBL7444873 0.67 HSD11B1 (0.56) HTR1DHTR1BALDH1A1HSD11B1HTR1A
SCHEMBL4056419 0.67 HSD11B1 (0.54) HTR1DALDH1A1HSD11B1KDM4EBRD4

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
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed