SCHEMBL9513902

SCHEMBL9513902

CCOC(=O)CCCCOc1ccc2c(c1)CC(NCc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.48
LTA4H P09960 6/20 0.47
BRD4 O60885 1/20 0.47
ADRB3 P13945 1/20 0.46
PDK2 Q15119 1/20 0.44
PLA2G2A P14555 1/20 0.43
DRD2 P14416 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
SCHEMBL9513968 0.99 GRIN2B (0.47) GRIN2BLTA4HBRD4ADRB3PDK2
Hydrochloric Acid SCHEMBL9304455 0.99 GRIN2B (0.47) GRIN2BLTA4HBRD4ADRB3PDK2
Hydrochloric Acid SCHEMBL9304774 0.98 GRIN2B (0.47) GRIN2BLTA4HBRD4ADRB3PDK2
SCHEMBL9513692 0.97 BRD4 (0.50) GRIN2BLTA4HBRD4ADRB3DRD2
Hydrochloric Acid SCHEMBL9305410 0.96 BRD4 (0.49) GRIN2BLTA4HBRD4ADRB3PDK2
SCHEMBL9443702 0.89 ADRB3 (0.56) GRIN2BADRB3DRD2
Hydrochloric Acid SCHEMBL9443699 0.88 ADRB3 (0.56) GRIN2BADRB3DRD2
SCHEMBL5143758 0.83 ADRB3 (0.64) GRIN2BADRB3
SCHEMBL8765648 0.83 ADRB3 (0.64) GRIN2BADRB3
Hydrochloric Acid SCHEMBL8765363 0.82 ADRB3 (0.63) GRIN2BADRB3

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-0383686-B1 2-AMINO-7-HYDROXYTETRALINE CARBOXYALKYL ETHERS ELF SANOFI (FR) 1993-08-04 EP claimed