SCHEMBL28880978

SCHEMBL28880978

Cc1ccn(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.35
LIPG Q9Y5X9 12/20 0.35
P2RX7 Q99572 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL30717 0.71 LPL (0.40) LPLLIPGP2RX7CA1CA2
SCHEMBL17827632 0.68 PRKCI (0.37) LPLLIPGMAPK1
SCHEMBL18239777 0.68 PRKCI (0.37) LPLLIPG
SCHEMBL18239899 0.68 IRAK4 (0.36) LPLLIPGCA1CA2CA9
SCHEMBL31378574 0.68 JAK2 (0.43) LPLLIPGCA1CA2CA9
SCHEMBL1529678 0.68 FFAR1 (0.36) LPLLIPGP2RX7
SCHEMBL18103626 0.67 LPL (0.44) LPLLIPGP2RX7CA1CA2
SCHEMBL2573893 0.66 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL18092423 0.66 JAK2 (0.41) LPLLIPGCA1CA2CA9
SCHEMBL19885232 0.64 LPL (0.41) LPLLIPGP2RX7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed
WO-2022152229-A1 CLASS OF MORPHOLINE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-07-21 WO disclosed