SCHEMBL9513692

SCHEMBL9513692

CCOC(=O)CCCOc1ccc2c(c1)CC(NCc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
GRIN2B Q13224 2/20 0.49
LTA4H P09960 6/20 0.46
ADRB3 P13945 1/20 0.46
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 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
Hydrochloric Acid SCHEMBL9305410 0.99 BRD4 (0.49) BRD4GRIN2BLTA4HADRB3DRD2
SCHEMBL9513902 0.97 GRIN2B (0.48) BRD4GRIN2BLTA4HADRB3DRD2
SCHEMBL9513968 0.96 GRIN2B (0.47) BRD4GRIN2BLTA4HADRB3DRD2
Hydrochloric Acid SCHEMBL9304455 0.96 GRIN2B (0.47) BRD4GRIN2BLTA4HADRB3DRD2
Hydrochloric Acid SCHEMBL9304774 0.95 GRIN2B (0.47) BRD4GRIN2BLTA4HADRB3DRD2
SCHEMBL9443702 0.89 ADRB3 (0.56) GRIN2BADRB3DRD2DRD3
Hydrochloric Acid SCHEMBL9443699 0.89 ADRB3 (0.56) GRIN2BADRB3DRD2DRD3
SCHEMBL8765648 0.84 ADRB3 (0.64) GRIN2BADRB3
SCHEMBL5143758 0.84 ADRB3 (0.64) GRIN2BADRB3
Hydrochloric Acid SCHEMBL8765363 0.83 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