SCHEMBL7476434

SCHEMBL7476434

O=C1Nc2cc(F)ccc2OC1CCO

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
CYP3A4 P08684 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.39

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
SCHEMBL7466727 0.89 L3MBTL1 (0.53) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL18209180 0.83 L3MBTL1 (0.63) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL3597209 0.83 L3MBTL1 (0.63) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL2101384 0.83 L3MBTL1 (0.63) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL7468675 0.83 L3MBTL1 (0.63) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL7460746 0.83 L3MBTL1 (0.67) L3MBTL1USP2GAATSHRMEN1
SCHEMBL20414554 0.83 L3MBTL1 (0.63) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL17055837 0.83 L3MBTL1 (0.63) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL7469309 0.82 L3MBTL1 (0.59) L3MBTL1CYP3A4TRPV1MAPK1USP2
SCHEMBL1562770 0.81 L3MBTL1 (0.44) L3MBTL1CYP3A4TRPV1MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed