SCHEMBL13284752

SCHEMBL13284752

CC(C)CN(Cc1cc(O)c2c(c1)OCCCO2)C(=O)CCN(C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPT P10636 1/20 0.41
PROKR2 Q8NFJ6 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
APP P05067 3/20 0.37
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL564165 0.91 PROKR2 (0.48) TSHRMAPTPROKR2MEN1KMT2A
SCHEMBL565270 0.87 TSHR (0.50) TSHRMAPTMEN1KMT2AGAA
SCHEMBL13284771 0.86 PROKR2 (0.46) TSHRMAPTPROKR2GAAALDH1A1
SCHEMBL13284391 0.78 PROKR2 (0.44) MAPTPROKR2MEN1KMT2AALDH1A1
SCHEMBL565457 0.78 PROKR2 (0.49) MAPTPROKR2ALDH1A1HPGDHDAC1
SCHEMBL565624 0.77 PROKR2 (0.56) TSHRMAPTPROKR2MEN1KMT2A
SCHEMBL564998 0.76 PROKR2 (0.52) TSHRPROKR2GAAALDH1A1HPGD
SCHEMBL564997 0.75 PROKR2 (0.51) PROKR2ALDH1A1HDAC1
SCHEMBL13284091 0.74 PROKR2 (0.46) TSHRPROKR2MEN1KMT2AGAA
SCHEMBL10107603 0.72 TSHR (0.53) TSHRMAPTPROKR2MEN1KMT2A

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-2010077976-A2 PROKINETICIN RECEPTOR ANTAGONISTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 WO disclosed