SCHEMBL7300865

SCHEMBL7300865

CC(=O)CC(=O)OC1CCOc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.42
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
BRD4 O60885 2/20 0.35
CREBBP Q92793 2/20 0.35
NOTUM Q6P988 1/20 0.35
MTNR1A P48039 2/20 0.35

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
SCHEMBL30812977 0.84 POLB (0.44) SSTR4MAPK1GAASMN1; SMN2TRPV1
SCHEMBL9785817 0.84 POLB (0.44) SSTR4MAPK1GAASMN1; SMN2TRPV1
SCHEMBL27720908 0.84 SSTR4 (0.40) SSTR4MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL21798462 0.81 SSTR4 (0.41) SSTR4MAPK1GAASMN1; SMN2TRPV1
SCHEMBL24262284 0.80 SSTR4 (0.38) SSTR4MAPK1CYP1A2CYP2C19GAA
SCHEMBL29208044 0.77 SSTR4 (0.46) SSTR4MAPK1TRPV1BRD4CREBBP
SCHEMBL623491 0.76 POLB (0.43) SSTR4CYP1A2CYP2C19GAA
SCHEMBL2740802 0.76 SSTR4 (0.41) SSTR4MAPK1GAAHTR2A
SCHEMBL7297689 0.76 TRPV1 (0.39) MAPK1CYP2C9CYP2C19GAATRPV1
SCHEMBL624499 0.76 PTGDR2 (0.40) SSTR4CNR1CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed