Sugi Predict

Sugi Predict / Compounds / SCHEMBL3249607

SCHEMBL3249607

SCHEMBL3249607

CC(C)(C)CC(NC(=O)O)C(=O)N[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 15/20 0.54
▸ HSD11B1 P28845 1/20 0.44
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 2/20 0.43
▸ ACACB O00763 2/20 0.43

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
SCHEMBL2843378 1.00 CACNA1B (0.54) CACNA1BHSD11B1HCRTR1HCRTR2ACACB
SCHEMBL67592 0.94 CACNA1B (0.50) CACNA1BHSD11B1HCRTR1HCRTR2ACACB
SCHEMBL2417232 0.94 CACNA1B (0.50) CACNA1BHSD11B1HCRTR1HCRTR2ACACB
SCHEMBL2840371 0.92 CACNA1B (0.53) CACNA1BHSD11B1HCRTR1HCRTR2ACACB
SCHEMBL3237975 0.92 CACNA1B (0.53) CACNA1BHSD11B1HCRTR1HCRTR2ACACB
SCHEMBL3242250 0.88 CACNA1B (0.55) CACNA1BHSD11B1HCRTR1HCRTR2
SCHEMBL66427 0.87 CACNA1B (0.64) CACNA1BHSD11B1HCRTR1HCRTR2ACACB
SCHEMBL1335745 0.85 CACNA1B (0.64) CACNA1BHCRTR1HCRTR2ACACB
SCHEMBL67591 0.84 CACNA1B (0.47) CACNA1BHSD11B1HCRTR1HCRTR2ACACB
SCHEMBL2418879 0.83 HCRTR1 (0.50) CACNA1BHSD11B1HCRTR1HCRTR2ACACB

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
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 — — WO disclosed