SCHEMBL9301620

SCHEMBL9301620

CNC(C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)C1COc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD11B1 P28845 2/20 0.46
MGLL Q99685 1/20 0.46
ADAMTS7 Q9UKP4 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
CACNA1B Q00975 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
DDR1 Q08345 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9302303 0.87 EPHX2 (0.47) LMNAHPGDHSD11B1MGLLMEN1
SCHEMBL9301405 0.87 ACHE (0.46) LMNAPOLBKMT2AALDH1A1
SCHEMBL9301986 0.86 CYP2D6 (0.46) POLBHSD11B1MGLLMEN1KMT2A
SCHEMBL9301807 0.83 TSHR (0.45) HPGDHSD11B1MEN1KMT2AUBE2M
SCHEMBL9301293 0.82 LMNA (0.46) LMNAHSD11B1MGLLMEN1KMT2A
SCHEMBL9302778 0.80 SIGMAR1 (0.46) LMNAUBE2MDCUN1D1ALDH1A1
SCHEMBL9302654 0.79 EPHX2 (0.45) LMNAHSD11B1MGLLMEN1KMT2A
SCHEMBL9301625 0.76 ADRA1D (0.54) RBP4LMNAPOLBHPGDHSD11B1
SCHEMBL13503927 0.75 LMNA (0.65) RBP4LMNAPOLBHPGDHSD11B1
SCHEMBL9302070 0.74 EPHX2 (0.47) LMNAHPGDHSD11B1MGLLMEN1

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