SCHEMBL8797612

SCHEMBL8797612

CCN1CC=C(c2c[nH]c3cc(NC=O)ccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
ALOX15 P16050 1/20 0.61
HTR1F P30939 2/20 0.50
DRD2 P14416 6/20 0.46
HTR1A P08908 5/20 0.46
HTR2A P28223 3/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TDO2 P48775 1/20 0.43

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
Phosphoric Acid SCHEMBL7865145 0.95 LMNA (0.56) KDM4ELMNAALOX15HTR1FDRD2
Phosphoric Acid SCHEMBL7868050 0.87 KDM4E (0.56) KDM4ELMNAALOX15HTR1FDRD2
Oxalic Acid SCHEMBL7865005 0.77 KDM4E (0.59) KDM4ELMNAALOX15HTR1FDRD2
SCHEMBL11321052 0.77 KDM4E (1.00) KDM4ELMNAALOX15DRD2HTR1A
Hydrochloric Acid SCHEMBL11325899 0.77 KDM4E (1.00) KDM4ELMNAALOX15DRD2HTR1A
SCHEMBL7485434 0.76 KDM4E (0.60) KDM4ELMNAALOX15HTR1FDRD2
Phosphoric Acid SCHEMBL7868039 0.75 HTR1D (0.38) KDM4ELMNAALOX15HTR1FDRD2
SCHEMBL7870827 0.75 KDM4E (0.37) KDM4ELMNAALOX15HTR1FMAPT
Phosphoric Acid SCHEMBL7870823 0.73 HTR1F (0.39) KDM4ELMNAALOX15HTR1F
Phosphoric Acid SCHEMBL7859763 0.73 HTR1F (0.42) KDM4ELMNAALOX15HTR1F

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-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed