SCHEMBL8554552

SCHEMBL8554552

CCC(=O)N(CCCN1CCC(C(=O)OC)(c2ccccc2)CC1)C1=C(C(=O)O)C(c2ccc(F)c(F)c2)NC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.53
ADRA1D P25100 19/20 0.53
ADRA1B P35368 19/20 0.53
OPRM1 P35372 1/20 0.53

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
SCHEMBL7953254 0.91 ADRA1A (0.52) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6785313 0.91 ADRA1A (0.52) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6784825 0.82 ADRA1A (0.52) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6785334 0.81 ADRA1A (0.49) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL8658997 0.80 ADRA1D (0.53) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6787908 0.77 ADRA1A (0.57) ADRA1AADRA1DADRA1B
SCHEMBL6245662 0.74 ADRA1A (0.53) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6782168 0.72 ADRA1D (0.65) ADRA1AADRA1DADRA1BOPRM1
SCHEMBL6291912 0.71 ADRA1D (0.67) ADRA1AADRA1DADRA1BOPRM1
Hydrochloric Acid SCHEMBL6969563 0.71 ADRA1D (0.51) ADRA1AADRA1DADRA1BOPRM1

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
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed