SCHEMBL9302303

SCHEMBL9302303

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
HPGD P15428 3/20 0.45
HSD11B1 P28845 1/20 0.44
MGLL Q99685 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRM1 P11229 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
SCHEMBL9301405 0.90 ACHE (0.46) EPHX2KMT2ALMNAALDH1A1KDM4E
SCHEMBL9301986 0.90 CYP2D6 (0.46) HSD11B1MGLLKMT2AMEN1UBE2M
SCHEMBL9301293 0.89 LMNA (0.46) EPHX2HSD11B1MGLLNPC1RAB9A
SCHEMBL9301620 0.87 RBP4 (0.48) HPGDHSD11B1MGLLKMT2ALMNA
SCHEMBL9302730 0.87 EPHX2 (0.51) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9302070 0.86 EPHX2 (0.47) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9301807 0.86 TSHR (0.45) HPGDHSD11B1KMT2AMEN1UBE2M
SCHEMBL9302354 0.84 EPHX2 (0.45) EPHX2HPGDHSD11B1MGLLKMT2A
SCHEMBL9302654 0.80 EPHX2 (0.45) EPHX2HSD11B1MGLLKMT2ALMNA
SCHEMBL9301097 0.79 HPGD (0.51) EPHX2HPGDHSD11B1MGLLKMT2A

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