SCHEMBL7970307

SCHEMBL7970307

C[C@H]1C[C@H](c2nc3ccccc3o2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.45
THRB P10828 2/20 0.42
USP2 O75604 1/20 0.42
MPO P05164 1/20 0.42
HTR2B P41595 1/20 0.42
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 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
SCHEMBL7970295 1.00 LMNA (0.45) LMNATHRBUSP2MPOHTR2B
SCHEMBL7970303 1.00 LMNA (0.45) LMNATHRBUSP2MPOHTR2B
SCHEMBL23411587 0.82 MPO (0.48) MPOTP53MAPTPOLBMEN1
SCHEMBL27415075 0.82 EPHX1 (0.46) LMNATHRBUSP2MPOHTR2B
SCHEMBL23442931 0.82 MPO (0.48) MPOTP53MAPTPOLBMEN1
SCHEMBL29891833 0.82 MPO (0.48) MPOTP53MAPTPOLBMEN1
SCHEMBL373400 0.80 MPO (0.54) LMNATHRBUSP2MPOHTR2B
SCHEMBL26862272 0.78 LMNA (0.60) LMNATHRBUSP2HTR2BEPHX1
SCHEMBL26295449 0.77 LMNA (0.53) LMNATHRBUSP2HTR2BTP53
SCHEMBL5566584 0.77 LMNA (0.45) LMNATHRBUSP2HTR2BEPHX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed