SCHEMBL546112

SCHEMBL546112

CC(C)(C)N(Cc1cc(N)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
SERPINE1 P05121 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL545967 0.86 TACR1 (0.43) TACR1MEN1KMT2AHTTL3MBTL1
SCHEMBL5428175 0.82 TACR1 (0.52) TACR1SERPINE1
SCHEMBL27385426 0.82 TACR1 (0.42) TACR1MEN1KMT2ASERPINE1ALDH1A1
SCHEMBL20568328 0.79 TACR1 (0.43) TACR1MEN1KMT2ASERPINE1
SCHEMBL6678261 0.75 CETP (0.43) TACR1
SCHEMBL335254 0.75 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL30950869 0.75 TACR1 (0.40) TACR1LMNAALDH1A1
SCHEMBL788092 0.75 TACR1 (0.40) TACR1LMNAALDH1A1
SCHEMBL395409 0.75 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL545966 0.74 CACNA1G (0.50) TACR1

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed