SCHEMBL21756659

SCHEMBL21756659

CC(C)(O)C(C)(C)OBc1ccnn1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.42
CYP4A11 Q02928 5/20 0.42
ATR Q13535 13/20 0.39
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL22449808 0.81 CYP4F2 (0.36) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL1649419 0.75 CYP4F2 (0.41) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL28916707 0.72 CYP4F2 (0.42) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22951244 0.71 CYP4F2 (0.47) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL18748296 0.70
SCHEMBL21439377 0.69 CYP4F2 (0.45) CYP4F2CYP4A11ATR
SCHEMBL12693554 0.69 CYP4F2 (0.47) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL8004755 0.69 CYP4F2 (0.53) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL22943517 0.68 CYP4F2 (0.44) CYP4F2CYP4A11ATRRXRARXRB
SCHEMBL21437982 0.68 CYP4F2 (0.49) CYP4F2CYP4A11ATRRXRARXRB

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
EP-3841101-B1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AG (DE) 2023-05-03 EP disclosed
WO-2020039025-A1 METHOD FOR PREPARING 2-[(3R)-3-METHYLMORPHOLIN-4-YL]-4-[1-METHYL-1H-PYRAZOL-5-YL)-8-(1H-PYRAZOL-5-YL)-1,7-NAPHTHYRIDINE BAYER AKTIENGESELLSCHAFT (DE) 2020-02-27 WO disclosed