SCHEMBL9762587

SCHEMBL9762587

COCCOCc1ccn(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
KCNH2 Q12809 6/20 0.36
CYP19A1 P11511 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
GRM2 Q14416 1/20 0.34
GRIN2B Q13224 1/20 0.33
HPGDS O60760 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
KMT2A Q03164 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL2629338 0.83
SCHEMBL15884724 0.79 EPHX2 (0.42) EPHX2KCNH2CYP19A1DDB1CRBN
SCHEMBL9761835 0.75 JMJD6 (0.39) EPHX2KCNH2CYP19A1DDB1CRBN
Hydrochloric Acid SCHEMBL10815720 0.72 EPHX2 (0.39) EPHX2KCNH2CYP19A1DDB1CRBN
SCHEMBL28025119 0.71 DGAT1 (0.42) DDB1CRBNKMT2AHDAC1HDAC6
SCHEMBL23986458 0.70 EPHX2 (0.38) EPHX2KCNH2CYP19A1DDB1CRBN
SCHEMBL18355383 0.70 EPHX2 (0.38) EPHX2KCNH2CYP19A1DDB1CRBN
SCHEMBL7661242 0.69 KCNH2 (0.44) KCNH2
SCHEMBL18483946 0.68 DDB1 (0.38) EPHX2KCNH2CYP19A1DDB1CRBN
SCHEMBL19075349 0.68 HDAC1 (0.42) EPHX2KCNH2DDB1CRBNGRM2

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
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US claimed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed