SCHEMBL7329656

SCHEMBL7329656

Fc1ccc(CN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
SLC18A3 Q16572 3/20 0.68
SIGMAR1 Q99720 3/20 0.68
BCHE P06276 2/20 0.61
ACHE P22303 2/20 0.61
BACE1 P56817 1/20 0.61
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.57
CHRM4 P08173 1/20 0.57

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
SCHEMBL19493714 0.92 SLC18A3 (0.70) MEN1KMT2ASLC18A3SIGMAR1BCHE
SCHEMBL10556550 0.92 MEN1 (0.61) MEN1KMT2ASLC18A3SIGMAR1BCHE
SCHEMBL1002852 0.88 MEN1 (0.81) MEN1KMT2ASLC18A3SIGMAR1ACHE
Oxalic Acid SCHEMBL7329508 0.86 CHRM4 (0.60) MEN1KMT2ASLC18A3SIGMAR1CHRM4
SCHEMBL16227271 0.86 TRPV6 (0.74) MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL29869413 0.84 MEN1 (0.54) MEN1KMT2ASLC18A3SIGMAR1BCHE
SCHEMBL8775737 0.84 MEN1 (0.74) MEN1KMT2ASLC18A3SIGMAR1ACHE
SCHEMBL2332535 0.84 MEN1 (0.74) MEN1KMT2ASLC18A3SIGMAR1DRD2
SCHEMBL19222078 0.84 MEN1 (0.74) MEN1KMT2ASLC18A3SIGMAR1ACHE
SCHEMBL3153917 0.84 MEN1 (0.74) MEN1KMT2ASLC18A3SIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US disclosed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US disclosed