SCHEMBL8775737

SCHEMBL8775737

NCc1ccc(CN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
DRD2 P14416 5/20 0.62
DRD4 P21917 3/20 0.57
CCR5 P51681 1/20 0.55
DRD3 P35462 1/20 0.55
TRPV6 Q9H1D0 2/20 0.53
SLC18A3 Q16572 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
ACHE P22303 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
Hydrochloric Acid SCHEMBL7985714 0.98 MEN1 (0.72) MEN1KMT2ADRD2DRD4CCR5
SCHEMBL1002852 0.88 MEN1 (0.81) MEN1KMT2ADRD2DRD4CCR5
SCHEMBL6223362 0.88 MEN1 (0.70) MEN1KMT2ADRD2DRD4CCR5
SCHEMBL8844209 0.88 MEN1 (0.57) MEN1KMT2ADRD2CCR5SLC18A3
SCHEMBL3153917 0.87 MEN1 (0.74) MEN1KMT2ADRD2DRD4CCR5
SCHEMBL2332535 0.84 MEN1 (0.74) MEN1KMT2ADRD2DRD4CCR5
SCHEMBL7329656 0.84 MEN1 (0.74) MEN1KMT2ADRD2DRD4SLC18A3
SCHEMBL19222078 0.84 MEN1 (0.74) MEN1KMT2ADRD2DRD4CCR5
SCHEMBL8844218 0.82 DRD2 (0.60) MEN1KMT2ADRD2CCR5SLC18A3
SCHEMBL7144058 0.81 MEN1 (0.65) MEN1KMT2ADRD2DRD4SIGMAR1

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-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed