SCHEMBL8522803

SCHEMBL8522803

O=C(S)N1c2ccccc2CCC1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 7/20 0.46
PDK2 Q15119 7/20 0.46
PDK3 Q15120 7/20 0.46
PDK4 Q16654 7/20 0.46
ACE P12821 1/20 0.46
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL29746320 0.88 PDK1 (0.48) PDK1PDK2PDK3PDK4ACE
SCHEMBL8522807 0.81 PDK1 (0.43) PDK1PDK2PDK3PDK4ACE
SCHEMBL26613362 0.79 RIPK1 (0.45) PDK1PDK2PDK3PDK4ACE
SCHEMBL29746522 0.79 RIPK1 (0.45) PDK1PDK2PDK3PDK4ACE
SCHEMBL16036390 0.79 MEN1 (0.43) PDK1PDK2PDK3PDK4ACE
SCHEMBL8522615 0.75 MTNR1A (0.48) ACE
SCHEMBL10441501 0.72 ALDH1A1 (0.40) PDK1PDK2PDK3PDK4TSHR
SCHEMBL23113116 0.72 NOTUM (0.51) ACE
SCHEMBL8554748 0.72 TSHR (0.42) TSHRPKMHPGDNPSR1
SCHEMBL10683163 0.72 CHRNB2 (0.44) TSHRPKMHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996024587-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-15 WO claimed
EP-0907374-A1 GROWTH HORMONE COMPONENT AND BONE ANTI-RESORPTIVE AGENT IN CYCLIC (COHERENCE) TREATMENT OF OSTEOPOROSIS NOVO NORDISK A/S (DK) 1999-04-14 EP disclosed
WO-1997046252-A1 GROWTH HORMONE COMPONENT AND BONE ANTI-RESORPTIVE AGENT IN CYCLIC (COHERENCE) TREATMENT OF OSTEOPOROSIS NOVO NORDISK A/S (DK) 1997-12-11 WO disclosed
WO-1996024587-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-15 WO disclosed