SCHEMBL30147489

SCHEMBL30147489

CC(C)(C)OC(=O)N1CCc2c([nH]c(=O)c3cc(F)c(F)cc23)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
TRPV1 Q8NER1 7/20 0.42
NR1H2 P55055 1/20 0.42
PARP1 P09874 4/20 0.40
ADORA1 P30542 1/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
F12 P00748 2/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL30147601 0.88 PARP1 (0.49) ESR2TRPV1NR1H2PARP1MKNK1
SCHEMBL2270578 0.84 PARP1 (0.57) TRPV1PARP1FAAHTNKS2PARP2
SCHEMBL27002298 0.84 ESR2 (0.46) ESR2TRPV1NR1H2PARP1FAAH
SCHEMBL29915037 0.84 ESR2 (0.46) ESR2TRPV1NR1H2PARP1FAAH
SCHEMBL3476663 0.81 TRPV1 (0.47) ESR2TRPV1NR1H2FAAHF12
SCHEMBL23537359 0.81 KDM4E (0.36) ESR2NR1H2PARP1KDM4EMAPT
SCHEMBL30022693 0.81 KDM4E (0.36) ESR2NR1H2PARP1KDM4EMAPT
SCHEMBL21588274 0.79 TRPV1 (0.48) ESR2TRPV1PARP1FAAHF12
SCHEMBL21588267 0.79 TRPV1 (0.51) ESR2TRPV1NR1H2FAAHMKNK1
SCHEMBL21588367 0.79 BAZ2B (0.58) TRPV1FAAHKDM4EMAPTCDK4

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-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed