SCHEMBL30745360

SCHEMBL30745360

COC(=O)Cc1ncc(OCc2ccccc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP3 P42574 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MAOB P27338 3/20 0.42
PABPC1 P11940 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL14677552 1.00 P4HTM (0.46) P4HTMPDGFRBPDGFRANPC1RAB9A
SCHEMBL30053276 0.87 P4HTM (0.50) P4HTMNPC1RAB9ASMN1; SMN2CTSV
SCHEMBL24791807 0.87 P4HTM (0.50) P4HTMNPC1RAB9ASMN1; SMN2CTSV
SCHEMBL4502948 0.85 PDGFRB (0.53) P4HTMPDGFRBPDGFRANPC1RAB9A
SCHEMBL30745351 0.80 HSP90AB1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL14677488 0.80 HSP90AB1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL29593701 0.80 MAOB (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1CTSV
SCHEMBL14683566 0.79 HTT (0.41) RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL29157083 0.78 LTA4H (0.46) P4HTMPDGFRBPDGFRANPC1RAB9A
SCHEMBL3944540 0.76 P4HTM (0.57) P4HTMNPC1RAB9ASMN1; SMN2ALDH1A1

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
CN-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 CN disclosed