SCHEMBL4607419

SCHEMBL4607419

CN(Cc1ccc(C(=O)N2CC3(C)CC2CC(C)(C)C3)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
TDP1 Q9NUW8 1/20 0.61
AVPR1A P37288 10/20 0.57
AVPR2 P30518 8/20 0.57
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.55
HSD11B1 P28845 1/20 0.53
GAA P10253 1/20 0.51

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
SCHEMBL3822995 0.92 ALDH1A1 (0.61) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3811241 0.91 AVPR1A (0.58) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL14532089 0.91 AVPR1A (0.58) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3817695 0.90 ALDH1A1 (0.59) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL14531717 0.90 ALDH1A1 (0.59) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3819290 0.89 ALDH1A1 (0.58) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3813718 0.89 ALDH1A1 (0.62) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3813588 0.88 ALDH1A1 (0.57) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3815182 0.88 AVPR1A (0.55) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL14532090 0.87 ALDH1A1 (0.56) ALDH1A1MEN1HTTKMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948190-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2008-07-30 EP disclosed
WO-2007051810-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed