SCHEMBL29277434

SCHEMBL29277434

O=CN1CC(Oc2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.47
▸ SCN9A Q15858 6/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ ACACB O00763 3/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ AXL P30530 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL29202321 0.86 LIPE (0.55) LIPESCN9ACHRNB2CHRNA4ACACB
SCHEMBL31307974 0.84 LIPE (0.44) LIPESCN9ACHRNB2CHRNA4SCN10A
SCHEMBL28612117 0.81 GRIN1 (0.46) CHRNB2CHRNA4
SCHEMBL29277440 0.78 TEAD1 (0.46) LIPEACACB
SCHEMBL31308062 0.77 KDM1A (0.39) ACACBCHRNA7
SCHEMBL26665387 0.76 LIPE (0.49) LIPESCN9ACHRNB2CHRNA4TRPV4
SCHEMBL29277452 0.76 HCRTR2 (0.40) ACACB
SCHEMBL26709805 0.75 CHRNB2 (0.46) LIPESCN9ACHRNB2CHRNA4TRPV4
SCHEMBL21603313 0.74 LIPE (0.48) LIPESCN9ACHRNB2CHRNA4ACACB
SCHEMBL29277439 0.74 ACACB (0.39) ACACBAXLTYRO3

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-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
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