SCHEMBL844014

SCHEMBL844014

O=C(N[C@@H]1CC2CCN(C2)C1)c1cc2oc(C(=O)N3CCCCC3)cc2cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.59
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HTT P42858 1/20 0.38
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36

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
SCHEMBL842532 1.00 CHRNA7 (0.59) CHRNA7ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL842531 1.00 CHRNA7 (0.59) CHRNA7ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL842513 0.99 CHRNA7 (0.60) CHRNA7ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL842512 0.99 CHRNA7 (0.60) CHRNA7ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL843407 0.97 CHRNA7 (0.60) CHRNA7ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL843406 0.97 CHRNA7 (0.60) CHRNA7ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL842558 0.95 CHRNA7 (0.62) CHRNA7ALDH1A1HPGDMAPTPOLB
SCHEMBL842557 0.95 CHRNA7 (0.62) CHRNA7ALDH1A1HPGDMAPTPOLB
SCHEMBL842722 0.94 CHRNA7 (0.63) CHRNA7ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL842723 0.94 CHRNA7 (0.63) CHRNA7ALDH1A1HPGDL3MBTL1MAPT

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