SCHEMBL1319656

SCHEMBL1319656

O=C(N1CCC[C@@]12C(=O)Nc1ccccc12)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 0.48
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL350528 0.77 HSD11B1 (0.58) HSD11B1CYP2D6ALDH1A1
SCHEMBL349845 0.76 HSD11B1 (0.58) HSD11B1CYP2D6
SCHEMBL18025755 0.69 PDK2 (0.46) ALDH1A1
SCHEMBL348724 0.66 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL349249 0.65 HSD11B1 (1.00) HSD11B1
SCHEMBL349025 0.65 HSD11B1 (1.00) HSD11B1
SCHEMBL350439 0.64 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL351050 0.64 HSD11B1 (1.00) HSD11B1ALDH1A1
SCHEMBL349468 0.64 HSD11B1 (1.00) HSD11B1
SCHEMBL31623079 0.64 HTR1A (0.77) ALDH1A1

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
US-8058288-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-11-15 US disclosed