SCHEMBL22983337

SCHEMBL22983337

CC(NC(=O)c1cccnc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PLOD2 O00469 1/20 0.50
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
THRB P10828 1/20 0.50
HIF1A Q16665 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL1106964 0.82 HDAC1 (0.62) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL1135419 0.81 EPHX2 (0.54) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL11868047 0.81 HDAC1 (0.61) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL1388177 0.81 HDAC1 (0.61) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL4869573 0.81 HDAC1 (0.61) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL31125745 0.80 SMN1; SMN2 (0.50) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL30664584 0.80 SMN1; SMN2 (0.50) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL30771879 0.80 SMN1; SMN2 (0.50) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL21922025 0.80 HDAC1 (0.59) LMNAHDAC1HDAC6SMN1; SMN2NPC1
SCHEMBL28285906 0.79 HDAC1 (0.62) LMNAHDAC1HDAC6SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013748-A1 NONPEPTIDE SOMATOSTATIN TYPE 5 RECEPTOR AGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-06-22 EP disclosed
CN-114585614-A Non-peptide somatostatin type 5 receptor agonists and uses thereof 克林提克斯医药股份有限公司 2022-06-03 CN disclosed
WO-2021030262-A1 NONPEPTIDE SOMATOSTATIN TYPE 5 RECEPTOR AGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2021-02-18 WO disclosed