SCHEMBL2174258

SCHEMBL2174258

CC(C)(C)N(C(=O)O)C1CCN(C(=O)c2csc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.40
MCHR2 Q969V1 2/20 0.36
GCGR P47871 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK7 Q13164 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
SCHEMBL2173319 0.89 MCHR1 (0.40) MCHR1MCHR2HTR2CMAPK7
SCHEMBL5668886 0.83 KMT2A (0.41) MCHR1MCHR2HTR2C
SCHEMBL5668892 0.80 HPGD (0.40) MCHR1GCGRHTR2C
SCHEMBL5669978 0.78 CHRM2 (0.43) MCHR1
SCHEMBL4389385 0.77 TAOK1 (0.43) MCHR1
SCHEMBL2173905 0.77 SHMT2 (0.43) MCHR1
SCHEMBL2174025 0.76 CHRM2 (0.41) MCHR1
SCHEMBL5668246 0.76 L3MBTL1 (0.49)
SCHEMBL2172250 0.76 MEN1 (0.45) MCHR1
SCHEMBL4387610 0.75 KDM4E (0.42) MCHR1

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-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed