SCHEMBL29560239

SCHEMBL29560239

COC(=O)C1CCc2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ADORA2A P29274 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PIN1 Q13526 1/20 0.39
P2RX7 Q99572 2/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CNR2 P34972 1/20 0.36
ANO1 Q5XXA6 2/20 0.36
IDH1 O75874 1/20 0.36
FAAH O00519 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL1198594 1.00 HDAC1 (0.39) HDAC1HDAC6ADORA2ATRPV1PIN1
SCHEMBL3312236 0.91 HDAC1 (0.46) HDAC1HDAC6ADORA2AP2RX7
SCHEMBL30558705 0.91 HDAC1 (0.46) HDAC1HDAC6ADORA2AP2RX7
SCHEMBL11983384 0.83 FNTA (0.40) HDAC1HDAC6TRPV1P2RX7FNTA
SCHEMBL26118246 0.82 P2RX7 (0.38) HDAC1HDAC6ADORA2ATRPV1P2RX7
SCHEMBL30557077 0.81 P2RX7 (0.39) PIN1P2RX7FNTAFNTBIDH1
SCHEMBL26120675 0.81 P2RX7 (0.39) PIN1P2RX7FNTAFNTBIDH1
SCHEMBL1155880 0.81 OPRL1 (0.40) HDAC1HDAC6TRPV1PIN1P2RX7
SCHEMBL30556783 0.80 ADORA2A (0.37) HDAC1HDAC6ADORA2ATRPV1P2RX7
SCHEMBL26123314 0.80 ADORA2A (0.37) HDAC1HDAC6ADORA2ATRPV1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 CN disclosed
CN-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 CN disclosed