SCHEMBL28850751

SCHEMBL28850751

O=C1C=CCc2cnccc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.33
TBXAS1 P24557 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
KDM3A Q9Y4C1 1/20 0.31

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
SCHEMBL6136738 0.74 AHR (0.48) CYP1A2GAAMAPT
SCHEMBL658301 0.71 PDE3B (0.59) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL2879383 0.71 CHRNB2 (0.38) CHRNB2CHRNA4SIGMAR1GAAMAPT
Bromide SCHEMBL15650437 0.69 PDE3B (0.57) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL3313252 0.69 CYP11B1 (0.56) PDE3BPDE3ACHRNB2CHRNA4CYP11B1
SCHEMBL3462883 0.69 CYP11B1 (0.56) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL1268962 0.69 HTR5A (0.42) CYP1A2MAPTCDK5CDK5R1
SCHEMBL13806532 0.69 PDE3B (0.41) PDE3BPDE3ACHRNB2CHRNA4CYP11B1
SCHEMBL16846521 0.69 BRD4 (0.59) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL3959190 0.68 PDE3B (0.40) PDE3BPDE3ACHRNB2CHRNA4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114980887-A Fluoroalkyl-oxadiazoles and their use 特纳亚治疗股份有限公司 2022-08-30 CN disclosed