SCHEMBL20140237

SCHEMBL20140237

CC(C)(C)N(CCc1ccc(C#N)c(N2CCNCC2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.37
FFAR4 Q5NUL3 4/20 0.36
ALDH1A1 P00352 2/20 0.35
AR P10275 1/20 0.34
HTR6 P50406 2/20 0.34
OPRL1 P41146 1/20 0.34
AOC3 Q16853 1/20 0.33
CSF1R P07333 1/20 0.33
KDM1A O60341 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL20140007 0.77 SLC6A2 (0.37) ALDH1A1HTR6
SCHEMBL20139813 0.76 NAMPT (0.42)
SCHEMBL20141381 0.76 DAO (0.43) FFAR4FFAR1
SCHEMBL27607731 0.74 HTR6 (0.50) ALDH1A1HTR6OPRL1
SCHEMBL20140728 0.74 MTOR (0.46) ALDH1A1AR
SCHEMBL5028368 0.73 HRH3 (0.45) TMEM97FFAR1
SCHEMBL22068710 0.72 KCNH2 (0.44) TMEM97FFAR4ARFFAR1
SCHEMBL24984505 0.71 ALDH1A1 (0.43) ALDH1A1HTR6OPRL1
SCHEMBL30163981 0.71 ALDH1A1 (0.43) ALDH1A1HTR6OPRL1
SCHEMBL320435 0.71 FFAR1 (0.44) FFAR4FFAR1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed