SCHEMBL844330

SCHEMBL844330

O=C(NC1CC2CC1CN2)c1cc2oc(C(=O)O)cc2cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.35
SMYD3 Q9H7B4 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
PIM1 P11309 4/20 0.34
PIM2 Q9P1W9 4/20 0.34
EGFR P00533 1/20 0.33
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
TBXAS1 P24557 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL843834 0.91 CHRNA7 (0.34) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL843413 0.89 SMYD3 (0.33) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL843928 0.87 CHRNA7 (0.36) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL843157 0.86 CHRNA7 (0.35) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL843782 0.86 CHRNA7 (0.35) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL844412 0.86 CHRNA7 (0.35) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL842935 0.84 CHRNA7 (0.34) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL843792 0.84 CHRNA7 (0.34) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL844322 0.84 CHRNA7 (0.34) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL843219 0.84 CHRNA7 (0.34) CHRNA7SMYD3HTR3AHTR3EHTR3B

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
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed