SCHEMBL9301807

SCHEMBL9301807

CNC(C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)C1COc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HSD11B1 P28845 1/20 0.42
HTR1A P08908 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL9301986 0.89 CYP2D6 (0.46) ALDH1A1HSD11B1UBE2MDCUN1D1MEN1
SCHEMBL9301405 0.87 ACHE (0.46) KDM4EALDH1A1GAAKMT2A
SCHEMBL9301293 0.86 LMNA (0.46) ALDH1A1HSD11B1UBE2MDCUN1D1MEN1
SCHEMBL9302303 0.86 EPHX2 (0.47) HPGDKDM4EALDH1A1HSD11B1UBE2M
SCHEMBL9301620 0.83 RBP4 (0.48) HPGDALDH1A1HSD11B1UBE2MDCUN1D1
SCHEMBL9302654 0.80 EPHX2 (0.45) TSHRPKMKDM4EALDH1A1GAA
SCHEMBL9301815 0.75 ADRA1D (0.63)
SCHEMBL9302183 0.73 CYP2D6 (0.44) ALDH1A1HSD11B1UBE2MDCUN1D1MEN1
SCHEMBL9302070 0.72 EPHX2 (0.47) HPGDKDM4EALDH1A1HSD11B1UBE2M
SCHEMBL9302730 0.72 EPHX2 (0.51) HPGDKDM4EALDH1A1HSD11B1UBE2M

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
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed