SCHEMBL8401615

SCHEMBL8401615

OC=CCc1ccc(-n2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
TBXAS1 P24557 2/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
NOTUM Q6P988 1/20 0.50
CYP3A4 P08684 4/20 0.49
BAZ2B Q9UIF8 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAOB P27338 1/20 0.46
ADH5 P11766 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL27613141 1.00 ENPP2 (0.54) ENPP2MKNK1MKNK2TBXAS1MAPT
SCHEMBL25345045 0.82 TBXAS1 (0.57) ENPP2MKNK1MKNK2TBXAS1MAPT
SCHEMBL5256897 0.81 TBXAS1 (0.55) ENPP2MKNK1MKNK2TBXAS1MAPT
SCHEMBL857216 0.78 ENPP2 (0.63) ENPP2MKNK1MKNK2TBXAS1MAPT
SCHEMBL8405927 0.77 CYP11B1 (0.63) TBXAS1MAPTLMNACYP3A4MEN1
SCHEMBL21791731 0.77 LMNA (0.62) ENPP2MKNK1MKNK2TBXAS1MAPT
SCHEMBL2532397 0.76 LMNA (0.78) ENPP2MKNK1MKNK2MAPTLMNA
SCHEMBL27612944 0.75 ENPP2 (0.51) ENPP2MKNK1MKNK2TBXAS1MAPT
Hydrochloric Acid SCHEMBL28701756 0.74 LMNA (0.75) ENPP2MKNK1MKNK2TBXAS1MAPT
SCHEMBL2460217 0.74 NOTUM (0.63) ENPP2MKNK1MKNK2TBXAS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US claimed
US-5859244-A EXHIBIT VASODILATING ACTIVITY BASED ON CALCIUM ANTAGONISM AND PLATELET-ACTIVATING FACTOR ANTAGONISM FUJIREBIO, INC. (JP) 1999-01-12 US disclosed
US-5763614-A VASODILATION BASED ON CALCIUM ANTAGONISM AND PAF ANTAGONISM FUJIREBIO INC. (JP) 1998-06-09 US disclosed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US disclosed