SCHEMBL7288641

SCHEMBL7288641

CCCNC1COc2ccccc2C1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
HTR2B P41595 1/20 0.45
POLB P06746 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.39
GRM7 Q14831 1/20 0.39
HTR1A P08908 1/20 0.39
LTA4H P09960 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR2A P28223 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL10697981 1.00 LTB4R (0.48) LTB4RLTB4R2HTR2BPOLBESR2
SCHEMBL10692134 0.79 HTR1A (0.43) HTR2BCYP3A4GRM7HTR1ASIGMAR1
SCHEMBL10692133 0.79 HTR1A (0.43) HTR2BCYP3A4GRM7HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL10691714 0.78 HTR1A (0.42) HTR2BCYP3A4GRM7HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL10691710 0.78 HTR1A (0.42) HTR2BCYP3A4GRM7HTR1ASIGMAR1
SCHEMBL696876 0.75 LTB4R (0.47) LTB4RLTB4R2HTR2BPOLBHPGD
SCHEMBL696877 0.75 LTB4R (0.47) LTB4RLTB4R2HTR2BPOLBHPGD
SCHEMBL697337 0.75 LTB4R (0.47) LTB4RLTB4R2HTR2BPOLBHPGD
SCHEMBL697338 0.75 LTB4R (0.47) LTB4RLTB4R2HTR2BPOLBHPGD
SCHEMBL20182824 0.71 LTB4R (0.56) LTB4RLTB4R2POLBCYP3A4HPGD

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
EP-0246633-B1 Trans-benzopyran-[4,3-b]-1,4-oxazine derivatives WARNER-LAMBERT COMPANY (US) 1991-01-02 EP disclosed
US-4792548-A Trans-benzopyran-(4,3-b)-1,4-oxazine derivatives, intermediates and pharmaceutical use WARNER-LAMBERT COMPANY (US) 1988-12-20 US disclosed
EP-0246633-A1 Trans-benzopyran-[4,3-b]-1,4-oxazine derivatives WARNER-LAMBERT COMPANY (US) 1987-11-25 EP disclosed