SCHEMBL7450259

SCHEMBL7450259

CCOC(=O)C1CCN(C(=O)c2ccc(-c3ccc(N)cc3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
ALDH1A1 P00352 5/20 0.58
POLB P06746 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TSHR P16473 1/20 0.55
GLA P06280 1/20 0.54
ADRB2 P07550 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL29978605 0.89 HPGD (0.77) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL2436680 0.84 HPGD (0.65) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL2436689 0.84 HPGD (0.65) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL7456162 0.83 KDM4E (0.68) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL2435315 0.83 HPGD (0.71) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL7242265 0.82 HPGD (0.73) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL14409571 0.78 TSHR (0.70) HPGDALDH1A1POLBTSHRGLA
SCHEMBL6271671 0.77 HPGD (0.77) HPGDALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL192942 0.77 HPGD (0.77) HPGDALDH1A1POLBSMN1; SMN2ADRB2
SCHEMBL12504031 0.77 HPGD (0.77) HPGDALDH1A1POLBSMN1; SMN2ADRB2

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-1189883-A2 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS Aventis Pharma Limited (GB) 2002-03-27 EP disclosed
WO-2000068195-A2 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 2000-11-16 WO disclosed