SCHEMBL9503472

SCHEMBL9503472

CCCC(Oc1c(OC)cccc1OC)C(=O)NC1CCc2c(ccc(O)c2O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.48
MTNR1B P49286 7/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 2/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD2 P14416 6/20 0.44
DRD4 P21917 5/20 0.44
DRD3 P35462 4/20 0.44
UBLCP1 Q8WVY7 1/20 0.41

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
SCHEMBL9503346 0.89 CA1 (0.41) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9506542 0.88 CA1 (0.41) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9503561 0.76 CA1 (0.43) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9503507 0.76 TAS1R3 (0.43) MTNR1AMTNR1BCA1CA2ADRA1D
SCHEMBL9506501 0.75 CA1 (0.42) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7333054 0.69 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL7333056 0.69 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL30089783 0.68 MTNR1A (0.84) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2597485 0.68 MTNR1A (0.84) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2351965 0.68 MTNR1A (0.84) MTNR1AMTNR1BCA1CA2ACHE

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-0321968-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
US-5151414-A Hypotensive agents SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-09-29 US disclosed
US-5070106-A HYPOTENSIVES, CEREBRAL DISORDERS SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-03 US disclosed
EP-0321968-A2 Compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed