SCHEMBL8705238

SCHEMBL8705238

COCC=CCNCCNCCNC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL8705237 1.00 KDM1A (0.33) KDM1AAKT1MEN1KMT2ARXFP1
SCHEMBL8700303 0.92 KDM1A (0.39) KDM1AAKT1
SCHEMBL8700300 0.92 KDM1A (0.39) KDM1AAKT1
SCHEMBL7658482 0.85 MEN1 (0.34) AKT1MEN1KMT2A
SCHEMBL7658476 0.85 MEN1 (0.34) AKT1MEN1KMT2A
SCHEMBL9702286 0.81 AKT1 (0.39) AKT1
SCHEMBL8703927 0.78 CA3 (0.34) AKT1MEN1KMT2A
SCHEMBL8703925 0.78 CA3 (0.34) AKT1MEN1KMT2A
SCHEMBL25182261 0.74 AKT1 (0.37) AKT1
SCHEMBL15663598 0.74 ALDH1A1 (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846942-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1998-12-08 — — US disclosed
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 — — US disclosed
EP-0547178-A4 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER LAMBERT CO (US) 1994-07-06 — — EP disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 — — EP disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 — — WO disclosed
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