SCHEMBL29277461

SCHEMBL29277461

O=CN1CC(OCc2cc(C(F)(F)F)ccc2F)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
NAAA Q02083 4/20 0.38
LIPG Q9Y5X9 5/20 0.38
POLB P06746 1/20 0.38
MGLL Q99685 1/20 0.37
TACR1 P25103 1/20 0.36
KMT2A Q03164 1/20 0.36
LPL P06858 4/20 0.36
LIPC P11150 4/20 0.36
USP30 Q70CQ3 2/20 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
SCHEMBL29277442 0.80 NAAA (0.58) IDO1NAAALIPGTACR1KMT2A
SCHEMBL29277432 0.77 IDO1 (0.50) IDO1NAAATACR1
SCHEMBL31071586 0.77 IDO1 (0.55) IDO1NAAA
SCHEMBL29277435 0.75 NAAA (0.42) NAAALIPGTACR1LPLLIPC
SCHEMBL29277447 0.75 NAAA (0.40) NAAA
SCHEMBL29277458 0.75 TACR1 (0.41) LIPGTACR1LIPC
SCHEMBL3124123 0.75 IDO1 (0.52) IDO1NAAA
SCHEMBL29277445 0.74 MGLL (0.41) NAAALIPGMGLL
SCHEMBL20708874 0.74 NAAA (0.38) IDO1NAAA
Trifluoroacetic Acid SCHEMBL30945211 0.72 IDO1 (0.47) IDO1LIPGPOLBKMT2ALPL

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