SCHEMBL5700697

SCHEMBL5700697

CCCCC1(C(O)=S)C(c2ccc(F)cc2)CCN1C(=O)C(=O)C(C)(C)CC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.33
RIPK1 Q13546 1/20 0.33
SLC10A2 Q12908 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8485753 0.85 PSEN1 (0.35) FKBP1ARIPK1
SCHEMBL7761516 0.79 FKBP1A (0.40) FKBP1ARIPK1
SCHEMBL6049184 0.78 RIPK1 (0.40) FKBP1ARIPK1
SCHEMBL7429157 0.74 FKBP1A (0.39) FKBP1ARIPK1
SCHEMBL7764589 0.74 DRD2 (0.36) FKBP1ARIPK1
SCHEMBL6049369 0.71 TP53 (0.31)
SCHEMBL6570607 0.70 FKBP1A (0.39) FKBP1ARIPK1
SCHEMBL4677187 0.67 FKBP1A (0.38) FKBP1A
SCHEMBL7763916 0.65 FKBP1A (0.35) FKBP1A
SCHEMBL5700694 0.65 OPRM1 (0.36) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
EP-0934263-B8 NON-IMMUNOSUPPRESSANT FKBP ROTAMASE INHIBITORS MGI GP INC (US) 2006-01-18 EP claimed
EP-0934263-A4 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARM INC (US) 2002-11-06 EP claimed
JP-2001506231-A 2001-05-15 JP claimed
EP-0934263-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1999-08-11 EP claimed
WO-1998013343-A1 HETEROCYCLIC THIOESTERS AND KETONES GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO claimed