SCHEMBL9854762

SCHEMBL9854762

CCCN1CCC[C@]1(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CTSK P43235 1/20 0.32
DRD2 P14416 2/20 0.31
BDKRB2 P30411 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
SCHEMBL18301541 0.81 MMP1 (0.33) CYP4F2CYP4A11CTSK
SCHEMBL3578169 0.81 ALDH1A1 (0.32) CYP4F2CYP4A11CTSK
SCHEMBL7382306 0.81 CYP4F2 (0.33) CYP4F2CYP4A11CTSKDRD2
SCHEMBL3580216 0.80 HCRTR2 (0.33) CYP4F2CYP4A11
SCHEMBL704387 0.80 SIGMAR1 (0.42) BDKRB2
SCHEMBL704386 0.80 SIGMAR1 (0.42) BDKRB2
SCHEMBL17595509 0.78 CYP4F2 (0.35) CYP4F2CYP4A11CTSK
SCHEMBL705872 0.78 KMT2A (0.42)
SCHEMBL8585741 0.78 HPGD (0.33) CYP4F2CYP4A11CTSK
SCHEMBL2216266 0.78 HPGD (0.33) CYP4F2CYP4A11CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed