SCHEMBL11255709

SCHEMBL11255709

CC1(C)CC(NCc2ccccc2)c2cc(Cl)cc(Cl)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
BACE1 P56817 3/20 0.38
CTSD P07339 2/20 0.38
BACE2 Q9Y5Z0 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM1A O60341 2/20 0.34
ABCB1 P08183 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2A P28223 1/20 0.34
SLC2A1 P11166 1/20 0.33

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
SCHEMBL11285051 0.88 HTT (0.38) BACE1CTSDBACE2MEN1KMT2A
SCHEMBL11251489 0.76 BACE1 (0.44) SLC6A2SLC6A4SLC6A3BACE1CTSD
SCHEMBL11242754 0.75 BACE1 (0.43) SLC6A2SLC6A4SLC6A3BACE1CTSD
SCHEMBL23422963 0.74 KMT2A (0.36) KMT2ATRPV1CNR1CNR2HTR2A
SCHEMBL3582825 0.69 CNR1 (0.45) CNR1CNR2HTR2A
SCHEMBL8071341 0.69 CNR1 (0.47) CNR1CNR2HTR2A
SCHEMBL11239322 0.68 BACE1 (0.45) SLC6A2SLC6A4SLC6A3BACE1CTSD
SCHEMBL11473124 0.66 BACE1 (0.38) SLC6A4SLC6A3BACE1CTSDLMNA
SCHEMBL11281586 0.65 LMNA (0.44) BACE1CTSDSMN1; SMN2LMNATP53
SCHEMBL11481354 0.65 BACE1 (0.37) SLC6A2SLC6A4SLC6A3BACE1CTSD

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-0001428-B1 INSECTICIDAL AND ACARICIDAL AGENTS CONTAINING CHROMAN DERIVATIVES, THEIR PREPARATION AND THEIR USE, AS WELL AS CHROMAN DERIVATIVES AND THEIR PREPARATION BAYER AG (DE) 1982-03-24 EP disclosed
US-4238501-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4237162-A MITICIDES, LARVACIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
EP-0001428-A1 Insecticidal and acaricidal agents containing chroman derivatives, their preparation and their use, as well as chroman derivatives and their preparation BAYER AG (DE) 1979-04-18 EP disclosed