SCHEMBL25339129

SCHEMBL25339129

CC(C)CCN(C(=O)O)[C@@H]1CCc2cc(OCc3ccccc3)c(N)c(F)c2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.37
TRPM8 Q7Z2W7 6/20 0.36
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
S1PR5 Q9H228 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CACNA1B Q00975 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
AGTR2 P50052 1/20 0.33
GLRA1 P23415 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
SCHEMBL29626276 0.93 HTR2A (0.38) MC4RTRPM8
SCHEMBL29132480 0.93 HTR2A (0.38) MC4RTRPM8
SCHEMBL25337498 0.90 MC4R (0.35) MC4RTRPM8S1PR5MEN1NPC1
SCHEMBL25340719 0.84 GHSR (0.34) MC4RMEN1NPC1RAB9AKMT2A
SCHEMBL29132505 0.82 HTR2A (0.38) MC4R
SCHEMBL25340552 0.81 PTPN2 (0.49)
SCHEMBL29132471 0.78 RORC (0.35)
SCHEMBL29626362 0.77 HTR2A (0.35) MEN1NPC1RAB9AKMT2A
SCHEMBL29626434 0.76 HTR2A (0.34) TRPM8
SCHEMBL22412454 0.75 PTPN2 (0.44)

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
EP-4211122-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2023-07-19 EP disclosed