SCHEMBL27265751

SCHEMBL27265751

[c]1ccc2ncc(Cc3cccnc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
POLB P06746 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MMP2 P08253 1/20 0.35
CHRNA7 P36544 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TBXAS1 P24557 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL6164805 0.76 CYP1A2 (0.46) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL10492340 0.71 CYP11B1 (0.46) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL1299174 0.70 TBXAS1 (0.51) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL29520054 0.70 CHRNA7 (0.44) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL10492186 0.68 HTT (0.47) CHRNB2CHRNA4CYP1A2CYP2D6HRH4
SCHEMBL27606289 0.68 MPO (0.43) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL727185 0.67 CYP1A2 (0.62) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL27606285 0.67 CHRNA7 (0.45) CHRNB2CHRNA4CYP11B1CYP11B2CYP1A2
SCHEMBL3992249 0.67 PDE10A (0.64) PDE10AMEN1MAPTKMT2A
SCHEMBL694101 0.67 HRH4 (0.47) HRH4HRH3MMP2TBXAS1

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
CN-1021823-C Substituted chroman compounds for treatment of asthma, arthritis and the like PFIZER (US) 1993-08-18 CN disclosed
CN-1064864-A The tetraline that replaces and the preparation method of allied compound PFIZER (US) 1992-09-30 CN disclosed
CN-1063489-A Substituted benzotetrahydropyridines and related compounds PFIZER (US) 1992-08-12 CN disclosed