SCHEMBL9427558

SCHEMBL9427558

COc1cc2c(cc1OC)CC(=O)N(CCCNCC1Cc3cc(OC)c(OC)cc3C1)C=C2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.52
HCN4 Q9Y3Q4 6/20 0.43
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCL2 P13500 1/20 0.33
HTR1A P08908 2/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL18755247 0.87 BRD4 (0.49) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL334046 0.83 BRD4 (0.60) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL17626791 0.82 BRD4 (0.48) BRD4HCN4GAASMN1; SMN2CCL2
Hydrochloric Acid SCHEMBL14696911 0.81 BRD4 (0.47) BRD4HCN4CCL2HTR1ACHRM2
SCHEMBL9427617 0.81 BRD4 (0.52) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15858417 0.81 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL18870119 0.80 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL15858418 0.80 BRD4 (0.64) BRD4HCN4GAASMN1; SMN2CCL2
SCHEMBL10852154 0.79 BRD4 (0.49) BRD4HCN4SMN1; SMN2HTR1ASLC6A4
SCHEMBL2820668 0.79 BRD4 (0.63) BRD4HCN4GAASMN1; SMN2CCL2

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
US-5296482-A (Benzocycloalkyl) alkylamines ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed