SCHEMBL7818013

SCHEMBL7818013

O=C(c1ccccc1)N1CCC(Cl)=C(c2nsnc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.42
LMNA P02545 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM5 P41594 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KCNK3 O14649 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL9404510 0.71 P2RX7 (0.44) CYP3A4CYP2D6CYP2C19GRM5PTGS1
SCHEMBL7817800 0.70 HPGD (0.46) HPGDLMNACYP3A4CYP2D6CYP2C19
SCHEMBL9404261 0.69 NOTUM (0.44) GRM5PTGS1PTGDR2ALDH1A1HTT
SCHEMBL9404369 0.69 ALDH1A1 (0.42) LMNAGRM5PTGDR2ALDH1A1HTT
SCHEMBL4279383 0.68 HPGD (0.73) HPGDLMNACYP3A4CYP2D6CYP2C19
SCHEMBL30277860 0.68 HPGD (0.73) HPGDLMNACYP3A4CYP2D6CYP2C19
SCHEMBL9404353 0.68 TP53 (0.40) LMNAGRM5PTGS1PTGDR2HTT
SCHEMBL9404352 0.67 HPGD (0.43) HPGDLMNACYP3A4CYP2D6CYP2C19
SCHEMBL7817295 0.67 ALDH1A1 (0.45) HPGDLMNAGRM5PTGS1PTGDR2
SCHEMBL7469385 0.66 HPGD (0.56) HPGDLMNAPTGS1PTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793665-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2001-09-12 EP disclosed
US-5741788-A TREATING DISEASES IN CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF MUSCARINIC CHOLINERGIC SYSTEM ESPECIALLY ALZHEIMER'S DISEASE NOVO NORDISK A/S (DK) 1998-04-21 US disclosed
EP-0793665-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-09-10 EP disclosed
WO-1996016065-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-30 WO disclosed