SCHEMBL28780902

SCHEMBL28780902

O=C(N1CCC(c2cn[nH]c2)CC1)N1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 19/20 1.00
SMO Q99835 1/20 0.50

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
SCHEMBL4171896 0.95 HSD11B1 (1.00) HSD11B1
SCHEMBL5421718 0.85 HSD11B1 (0.78) HSD11B1SMO
SCHEMBL1854997 0.83 HSD11B1 (0.79) HSD11B1SMO
Hydrochloric Acid SCHEMBL1857334 0.82 HSD11B1 (0.78) HSD11B1SMO
SCHEMBL1858258 0.80 HSD11B1 (1.00) HSD11B1SMO
SCHEMBL1861198 0.80 HSD11B1 (0.88) HSD11B1
SCHEMBL1857637 0.79 HSD11B1 (1.00) HSD11B1SMO
SCHEMBL30756735 0.79 HSD11B1 (1.00) HSD11B1SMO
SCHEMBL26657989 0.79 HSD11B1 (1.00) HSD11B1SMO
SCHEMBL19248199 0.78 HSD11B1 (0.66) HSD11B1SMO

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
CN-101479259-A Urea derivatives of piperidine or pyrrolidine, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-07-08 CN disclosed