SCHEMBL21478037

SCHEMBL21478037

CCCCNC(CC)N1CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
USP2 O75604 1/20 0.31
MAPT P10636 2/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 1/20 0.30
POLB P06746 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL720552 0.91 EPHX1 (0.39) ALDH1A1TSHRADH1BADH1CADH1A
SCHEMBL719934 0.91 EPHX1 (0.39) ALDH1A1TSHRADH1BADH1CADH1A
SCHEMBL540785 0.81 HTT (0.39) ALDH1A1KMT2AHTTTSHRGAA
SCHEMBL13822511 0.75
SCHEMBL7227062 0.74 HTT (0.41) ALDH1A1KMT2AHTTTSHRMAPT
SCHEMBL10409485 0.70 ALDH1A1 (0.54) ALDH1A1TSHRGAA
SCHEMBL5367349 0.67 LMNA (0.48) ALDH1A1TSHRCNR1MAPTADH1B
SCHEMBL13822665 0.67
SCHEMBL6767087 0.67 TSHR (0.41) ALDH1A1TSHRCNR1MAPTADH1B
SCHEMBL236462 0.66 TSHR (0.53) ALDH1A1KMT2ATSHRMEN1MAPT

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-2019200161-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE DESIGN THERAPEUTICS INC. (US) 2019-10-17 WO disclosed