SCHEMBL30509641

SCHEMBL30509641

C[C@@H](c1ccc(OCc2ccccc2)cc1)N1Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
CHRM4 P08173 1/20 0.47
ALOX5 P09917 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
BCHE P06276 2/20 0.46

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
SCHEMBL5128246 0.91 HRH3 (0.60) HRH3MEN1KMT2APRMT5WDR77
SCHEMBL19266658 0.85 HRH3 (0.54) HRH3MEN1KMT2APRMT5WDR77
SCHEMBL5130916 0.80 REV1 (0.65) HRH3KMT2ANPC1
SCHEMBL21171660 0.79 FFAR1 (0.55) HRH3MEN1KMT2APRMT5WDR77
SCHEMBL3044008 0.78 S1PR5 (0.62) CHRM4ALOX5
SCHEMBL5128317 0.77 HRH3 (0.60) HRH3PRMT5WDR77BCHE
SCHEMBL683554 0.76 RXRA (0.66) RAB9AALOX5LMNACYP1A2PTGS1
SCHEMBL2023883 0.75 LMNA (0.58) RAB9AALOX5LMNACYP1A2PTGS1
SCHEMBL6376299 0.73 MAOB (0.59) RAB9AALOX5LMNACYP1A2PTGS1
SCHEMBL6616547 0.73 LMNA (0.56) RAB9AALOX5LMNACYP1A2PTGS1

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-109384729-B Pyrimidinedione compounds for cardiac disorders 迈奥卡迪亚公司 2023-06-30 CN disclosed